methyl 4-[(4-methoxycarbonyl-2-phenylsulfanyl-phenyl)disulfanyl]-3-phenylsulfanyl-benzoate

Systemtic Name: methyl 4-[(4-methoxycarbonyl-2-phenylsulfanyl-phenyl)disulfanyl]-3-phenylsulfanyl-benzoate Openeye Name: methyl 4-[(4-methoxycarbonyl-2-phenylsulfanyl-phenyl)disulfanyl]-3-phenylsulfanyl-benzoate CAS Name: 4-[[4-methoxycarbonyl-2-(phenylthio)phenyl]disulfanyl]-3-(phenylthio)benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methoxycarbonyl-2-phenylsulfanylphenyl)disulfanyl]-3-phenylsulfanylbenzoate Traditional Name: 4-[[4-carbomethoxy-2-(phenylthio)phenyl]disulfanyl]-3-(phenylthio)benzoic acid methyl ester Formula: C28H22O4S4 MolecularWeight: 550.73188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SSC2=C(C=C(C=C2)C(=O)OC)SC3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SSC2=C(C=C(C=C2)C(=O)OC)SC3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C28H22O4S4/c1-31-27(29)19-13-15-23(25(17-19)33-21-9-5-3-6-10-21)35-36-24-16-14-20(28(30)32-2)18-26(24)34-22-11-7-4-8-12-22/h3-18H,1-2H3