NXC

Summary

Name:	(2,6-bis[(dimethylamino-kappaN)methyl]-4-{3-[(S)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}phenyl-kappaC~1~)(chloro)platinum(2+)
Synonyms:	ethyl 4-nitrophenyl P-[3-(4-(chloroplatino)-1,3-bis > [(dimethylamino)methyl]-phenyl)propyl]phosphonate
Formula:	C23 H33 Cl N3 O5 P Pt
Formal charge:	0
Formula weight:	693.03 Da
Component type:	NON-POLYMER
Ambiguous Chemistry Warning:	The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution.

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.02	InChI=1S/C23H33N3O5P.ClH.Pt/c1-6-30-32(29,31-23-11-9-22(10-12-23)26(27)28)13-7-8-19-14-20(17-24(2)3)16-21(15-19)18-25(4)5;;/h9-12,14-15H,6-8,13,17-18H2,1-5H3;1H;/q;;+1/p-1/t32-;;/m0../s1
InChIKey	InChI	1.02	LZKZTXFYNVLFNV-GDCSGTLQSA-M
SMILES_CANONICAL	CACTVS	3.352	CCO[P@@](=O)(CCCc1cc2CN(C)(C)\|[Pt]3(Cl)\|N(C)(C)Cc(c1)c23)Oc4ccc(cc4)[N+]([O-])=O
SMILES	CACTVS	3.352	CCO[P](=O)(CCCc1cc2CN(C)(C)\|[Pt]3(Cl)\|N(C)(C)Cc(c1)c23)Oc4ccc(cc4)[N+]([O-])=O
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	CCO[P@@](=O)(CCCc1cc2c3c(c1)C[N]([Pt]3([N](C2)(C)C)Cl)(C)C)Oc4ccc(cc4)[N+](=O)[O-]
SMILES	OpenEye OEToolkits	1.7.0	CCOP(=O)(CCCc1cc2c3c(c1)C[N]([Pt]3([N](C2)(C)C)Cl)(C)C)Oc4ccc(cc4)[N+](=O)[O-]