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PLL

PLL
Name:	Palladium(II) allyl complex
Formula:	C3 H5 Pd
SMILES:	[Pd]21CC1C2
InChi:	InChI=1S/C3H5.Pd/c1-3-2
Definition date:	2008-01-31
Last modified:	2023-09-23
Identifier:	[(1,2,3-eta)-propane-1,2,3-triyl]palladium

SFO

SFO
Name:	SULFONIC ACID
Formula:	H3 O3 S
SMILES:	O[SH](O)=O
InChi:	InChI=1S/H4O3S/c1-4(2)3/h4H2,(H2,1,2,3)
Definition date:	1999-07-08
Last modified:	2023-09-23
Identifier:	sulfurous acid

PMR

PMR
Name:	Protochlorophyllide
Formula:	C35 H32 Mg N4 O5
SMILES:	CCC1=C(C)C2=[N+]3C1=Cc4n5c6C(=C7C(=C(C)C8=[N+]7[Mg]35[N]9C(=C8)C(=C(C=C)C9=C2)C)CCC(O)=O)[CH](C(=O)OC)C(=O)c6c4C
InChi:	InChI=1S/C35H34N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22
Definition date:	2008-04-24
Last modified:	2023-09-23

XCC

XCC
Name:	FE(4)-NI(1)-S(4) CLUSTER
Formula:	Fe4 Ni S4
SMILES:	[Fe]S[Fe]S[Fe]S[Fe]S[Ni]
InChi:	InChI=1S/4Fe.Ni.4S
Synonyms:	C CLUSTER
Definition date:	2002-12-20
Last modified:	2023-09-23

VA3

VA3
Name:	TRIVANADATE
Formula:	O8 V3
SMILES:	O.[O-].O=[V](=O)O[V]O[V](=O)=O
InChi:	InChI=1S/H2O.7O.3V/h1H2
Definition date:	2002-08-08
Last modified:	2023-09-23

NL1

NL1
Name:	1-[2-oxidanylidene-2-(piperidin-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide
Formula:	C15 H19 N5 O2
SMILES:	NC(=O)c1cnc2n(CC(=O)NC3CCNCC3)ccc2c1
InChi:	InChI=1S/C15H19N5O2/c16-14(22)11-7-10-3-6-20(15(10)18-8-11)9-13(21)19-12-1-4-17-5-2-12/h3,6-8,12,17H,1-2,4-5,9H2,(H2,16,22)(H,19,21)
Definition date:	2022-08-17
Last modified:	2023-09-23
Release date:	2023-06-14
Identifier:	1-[2-oxidanylidene-2-(piperidin-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide

MDI

MDI
Name:	3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide
Formula:	C27 H26 F2 N4 O
SMILES:	CN([CH]1CCCc2c(ccc(C)c12)c3ccc4c(C)n[nH]c4c3)C(=O)c5ncccc5C(F)F
InChi:	InChI=1S/C27H26F2N4O/c1-15-9-11-19(17-10-12-18-16(2)31-32-22(18)14-17)20-6-4-8-23(24(15)20)33(3)27(34)25-21(26(28)29)7-5-13-30-25/h5,7,9-14,23,26H,4,6,8H2,1-3H3,(H,31,32)/t23-/m1/s1
Definition date:	2022-07-27
Last modified:	2023-09-23
Release date:	2022-08-31
Identifier:	3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide

NLL

NLL
Name:	1-[[4-(aminomethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-5-carboxamide
Formula:	C16 H16 N4 O
SMILES:	NCc1ccc(Cn2ccc3cc(cnc23)C(N)=O)cc1
InChi:	InChI=1S/C16H16N4O/c17-8-11-1-3-12(4-2-11)10-20-6-5-13-7-14(15(18)21)9-19-16(13)20/h1-7,9H,8,10,17H2,(H2,18,21)
Definition date:	2022-08-17
Last modified:	2023-09-23
Release date:	2023-06-14
Identifier:	1-[[4-(aminomethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-5-carboxamide

ME3

ME3
Name:	RUTHENIUM-PYRIDOCARBAZOLE-3
Formula:	C26 H18 N3 O6 Ru
SMILES:	CCOC(=O)C1CCCC1.Oc2ccc3n([Ru])c4c5ncccc5c6C(=O)NC(=O)c6c4c3c2.C#[O]
InChi:	InChI=1S/C17H9N3O3.C8H9O2.CHO.Ru/c21-7-3-4-10-9(6-7)11-13-12(16(22)20-17(13)23)8-2-1-5-18-14(8)15(11)19-10
Definition date:	2005-08-18
Last modified:	2023-09-23

POR

POR
Name:	PORPHYRIN FE(III)
Formula:	C20 H12 Fe N4
SMILES:	[Fe]1n2c3ccc2C=C4C=CC(=N4)C=C5C=CC(=CC6=NC(=C3)C=C6)N15
InChi:	InChI=1S/C20H12N4.Fe/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14
Definition date:	1999-07-08
Last modified:	2023-09-23

KEG

KEG
Name:	12-TUNGSTOPHOSPHATE
Formula:	O40 P W12
SMILES:	O=[W]1234O[W]567(=O)O[W]89(=O)(O1)O[W]%10%11%12(=O)O[W]%13%14(=O)(O2)O[W]%15%16(=O)(O3)O[W]%17%18(=O)(O5)O[W]%19%20(=O)(O6)O[W]%21(=O)(O8)(O%10)O[W]%22%23(=O)(O%19)O[W]%24(=O)(O%15)(O%17)O[W](=O)(O%13)(O%11)(O%22)[O]%12%14[P]([O]479)([O]%16%18%24)[O]%20%21%23
InChi:	InChI=1S/HO4P.36O.12W/c1-5(2,3)4
Definition date:	2002-12-23
Last modified:	2023-09-23

NMV

NMV
Name:	6-[[4-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide
Formula:	C14 H16 N4 O
SMILES:	NCc1ccc(CNc2ccc(cn2)C(N)=O)cc1
InChi:	InChI=1S/C14H16N4O/c15-7-10-1-3-11(4-2-10)8-17-13-6-5-12(9-18-13)14(16)19/h1-6,9H,7-8,15H2,(H2,16,19)(H,17,18)
Definition date:	2022-08-17
Last modified:	2023-09-23
Release date:	2023-06-14
Identifier:	6-[[4-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide

NN9

NN9
Name:	6-[[3-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide
Formula:	C14 H16 N4 O
SMILES:	NCc1cccc(CNc2ccc(cn2)C(N)=O)c1
InChi:	InChI=1S/C14H16N4O/c15-7-10-2-1-3-11(6-10)8-17-13-5-4-12(9-18-13)14(16)19/h1-6,9H,7-8,15H2,(H2,16,19)(H,17,18)
Definition date:	2022-08-17
Last modified:	2023-09-23
Release date:	2023-06-14
Identifier:	6-[[3-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide

NOF

NOF
Name:	tert-butyl 7'-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate
Formula:	C34 H45 Cl Ir N5 O4 S
SMILES:	CC1C(C)C(C)C(C)C1C.CC(C)(C)OC(=O)N2[Ir](Cl)[n+]3cccc4c(NC(=O)CCCC[CH]5SC[CH]6NC(=O)N[CH]56)ccc2c34
InChi:	InChI=1S/C24H31N5O4S.C10H15.ClH.Ir/c1-24(2,3)33-23(32)28-16-11-10-15(14-7-6-12-25-20(14)16)26-19(30)9-5-4-8-18-21-17(13-34-18)27-22(31)29-21
Synonyms:	iridium catalyst for CH activation
Definition date:	2022-08-17
Last modified:	2023-09-23
Release date:	2023-08-23
Identifier:	~{tert}-butyl 7'-[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate

YM6

YM6
Name:	1-[(2R)-4-(9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine
Formula:	C14 H16 N6 O
SMILES:	NC[CH]1CN(CCO1)c2ncnc3[nH]c4cnccc4c23
InChi:	InChI=1S/C14H16N6O/c15-5-9-7-20(3-4-21-9)14-12-10-1-2-16-6-11(10)19-13(12)17-8-18-14/h1-2,6,8-9H,3-5,7,15H2,(H,17,18,19)/t9-/m1/s1
Definition date:	2011-06-06
Last modified:	2023-09-23
Identifier:	[(2~{R})-4-(4,6,8,11-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaen-3-yl)morpholin-2-yl]methanamine

WO2

WO2
Name:	OCTADECATUNGSTENYL DIPHOSPHATE
Formula:	O62 P2 W18
SMILES:	O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[P]23O[W]456O[W]78O[W]9%10O[W]%11%12O[W]%13(O7)O[W]%14%15(O[P]%16%17O[W]%18%19(O%11)O[W]%20%21O[W]%22%23O[W]1(O9)(O%18)O[W]%24%25(O%22)O[W]%26(O%10)(O8)O[W](O4)(O[W](O2)(O%23)(O5)O[W](O%16)(O%20)(O%14)O[W]%27%28(O%15)O[W]%29(O%12)(O%13)O[W](O%21)(O%19)(O%27)[O]%17%28%29)(O%24)[O]3%25%26)O6
InChi:	InChI=1S/2HO4P.18H2O.36O.18W/c2*1-5(2,3)4
Definition date:	2000-01-20
Last modified:	2023-09-23
Identifier:	oxygen; phosphorus; tungsten

WO3

WO3
Name:	TRI-TUNGSTEN(VI) OXIDE COMPLEX
Formula:	O13 W3
SMILES:	O=[W+3]12(=O)(=O)O[W-3]3(=O)(=O)(=O)O[W](=[O]13)(=O)(=O)(=O)O2
InChi:	InChI=1S/13O.3W
Definition date:	2007-01-31
Last modified:	2023-09-23

VER

VER
Name:	IRON-OCTAETHYLPORPHYRIN
Formula:	C30 H27 Fe N4 O3
SMILES:	CC1=CC2=NC1=Cc3n4[Fe][N]5C(=CC6=NC(=[O+]c4c(C=C)c3C)C(=C6C=C)C)C(=C(CCC(O)=O)C5=C2)C
InChi:	InChI=1S/C30H28N4O3.Fe/c1-7-20-18(6)29-34-27(20)14-24-17(5)22(9-10-28(35)36)26(32-24)12-19-11-15(3)23(31-19)13-25-16(4)21(8-2)30(33-25)37-29
Synonyms:	VERDOHEME
Definition date:	2004-07-28
Last modified:	2023-09-23

XX2

XX2
Name:	1-KETO,2-HYDROXY,4-NITROBENZENE, 1 ELECTRON OXIDIZED
Formula:	C6 H4 N O4
SMILES:	O=[N+]([O-])C1=CC(O)C(=O)C=C1
InChi:	InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,6,9H/t6-/m1/s1
Definition date:	2006-10-05
Last modified:	2023-09-23
Identifier:	(6R)-6-hydroxy-4-nitrocyclohexa-2,4-dien-1-one

MJO

MJO
Name:	N-(beta-L-Fucopyranosyl)-biphenyl-3-carboxamide
Formula:	C19 H21 N O5
SMILES:	C[CH]1O[CH](NC(=O)c2cccc(c2)c3ccccc3)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C19H21NO5/c1-11-15(21)16(22)17(23)19(25-11)20-18(24)14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-11,15-17,19,21-23H,1H3,(H,20,24)/t11-,15+,16+,17-,19-/m0/s1
Synonyms:	~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]-3-phenyl-benzamide
Definition date:	2022-07-27
Last modified:	2023-09-23
Release date:	2022-11-02
Identifier:	~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]-3-phenyl-benzamide

OM2

OM2
Name:	(R)-[2-[[(2S)-BUTAN-2-YL]CARBAMOYL]PHENYL]METHYL-[(4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL]-METHYL-AZANIUM
Formula:	C22 H27 N2 O5
SMILES:	CC[CH](C)NC(=O)c1ccccc1C[NH+](C)Cc2ccc3OCOc3c2C(O)=O
InChi:	InChI=1S/C22H26N2O5/c1-4-14(2)23-21(25)17-8-6-5-7-15(17)11-24(3)12-16-9-10-18-20(29-13-28-18)19(16)22(26)27/h5-10,14H,4,11-13H2,1-3H3,(H,23,25)(H,26,27)/p+1/t14-/m0/s1
Definition date:	2011-07-01
Last modified:	2023-09-23
Identifier:	[2-[[(2~{S})-butan-2-yl]carbamoyl]phenyl]methyl-[(4-carboxy-1,3-benzodioxol-5-yl)methyl]-methyl-azanium

OM3

OM3
Name:	(R)-(4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL-[[2-(CYCLOHEXYLMETHYLCARBAMOYL)PHENYL]METHYL]-METHYL-AZANIUM
Formula:	C25 H31 N2 O5
SMILES:	C[NH+](Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4OCOc4c3C(O)=O
InChi:	InChI=1S/C25H30N2O5/c1-27(15-19-11-12-21-23(32-16-31-21)22(19)25(29)30)14-18-9-5-6-10-20(18)24(28)26-13-17-7-3-2-4-8-17/h5-6,9-12,17H,2-4,7-8,13-16H2,1H3,(H,26,28)(H,29,30)/p+1
Definition date:	2011-07-01
Last modified:	2023-09-23
Identifier:	(4-carboxy-1,3-benzodioxol-5-yl)methyl-[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl]-methyl-azanium

YBT

YBT
Name:	BIS-(2-HYDROXYETHYL)AMINO-TRIS(HYDROXYMETHYL)METHANE YTTRIUM
Formula:	C8 H19 N O5 Y
SMILES:	[Y].OCCN(CCO)C(CO)(CO)CO
InChi:	InChI=1S/C8H19NO5.Y/c10-3-1-9(2-4-11)8(5-12,6-13)7-14
Definition date:	2002-08-09
Last modified:	2023-09-23

ZRL

ZRL
Name:	7-BROMO-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE
Formula:	C12 H7 Br N2 O S
SMILES:	BrC1=CNC(=O)c2cc(sc12)c3ccncc3
InChi:	InChI=1S/C12H7BrN2OS/c13-9-6-15-12(16)8-5-10(17-11(8)9)7-1-3-14-4-2-7/h1-6H,(H,15,16)
Definition date:	2011-06-17
Last modified:	2023-09-23
Release date:	2011-06-29
Identifier:	7-bromanyl-2-pyridin-4-yl-5~{H}-thieno[3,2-c]pyridin-4-one

MKO

MKO
Name:	8,8-bis($l^{1}-oxidanyl)-2,2'-dimethyl-8,8'-spirobi[3$l^{4},7,9-trioxa-8$l^{6}-vanadabicyclo[4.3.0]nona-1(6),2,4-triene]
Formula:	C12 H10 O8 V
SMILES:	Cc1[o+]ccc2O[V]3([O-])([O-])(Oc4cc[o+]c(C)c4O3)Oc12
InChi:	InChI=1S/2C6H6O3.2O.V/c2*1-4-6(8)5(7)2-3-9-4
Definition date:	2022-07-27
Last modified:	2023-09-23
Release date:	2022-11-23
Identifier:	2,2'-dimethyl-8,8-bis(oxidanidyl)-8,8'-spirobi[7,9-dioxa-3-oxonia-8$l^{6}-vanadabicyclo[4.3.0]nona-1(6),2,4-triene]

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