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4KV

Summary
Name:3-[2-chloranyl-2-[dimethyl(oxidanyl)-{4}-sulfanyl]-4-ethylsulfanyl-1-oxa-3{3}-thia-2{4}-platinacyclohexa-3,5-dien-6-yl]phenol
Formula:C13 H18 Cl O3 Pt S3
Formal charge:0
Formula weight:549.006 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.9.23-[2-chloranyl-2-[dimethyl(oxidanyl)-{4}-sulfanyl]-4-ethylsulfanyl-1-oxa-3{3}-thia-2{4}-platinacyclohexa-3,5-dien-6-yl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C11H12O2S2.C2H7OS.ClH.Pt/c1-2-15-11(14)7-10(13)8-4-3-5-9(12)6-8;1-4(2)3;;/h3-7,12-13H,2H2,1H3;3H,1-2H3;1H;/q;+1;;+1/p-2/b10-7-;;;
InChIKeyInChI1.03WTWNXRGJOPEVSJ-SULXSYCDSA-L
SMILES_CANONICALCACTVS3.385CCSC(=S)C=C(O[Pt](Cl)[S](C)(C)O)c1cccc(O)c1
SMILESCACTVS3.385CCSC(=S)C=C(O[Pt](Cl)[S](C)(C)O)c1cccc(O)c1
SMILES_CANONICALOpenEye OEToolkits1.9.2CCSC1=[S][Pt](OC(=C1)c2cccc(c2)O)(S(C)(C)O)Cl
SMILESOpenEye OEToolkits1.9.2CCSC1=[S][Pt](OC(=C1)c2cccc(c2)O)(S(C)(C)O)Cl

227111

PDB entries from 2024-11-06

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