dimethyl (3E)-4-(phenylsulfanylmethyl)-3-(phenylsulfanylmethylidene)cyclohexane-1,1-dicarboxylate

Systemtic Name: dimethyl (3E)-4-(phenylsulfanylmethyl)-3-(phenylsulfanylmethylidene)cyclohexane-1,1-dicarboxylate Openeye Name: dimethyl (3E)-4-(phenylsulfanylmethyl)-3-(phenylsulfanylmethylene)cyclohexane-1,1-dicarboxylate CAS Name: (3E)-4-[(phenylthio)methyl]-3-[(phenylthio)methylidene]cyclohexane-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3E)-4-(phenylsulfanylmethyl)-3-(phenylsulfanylmethylidene)cyclohexane-1,1-dicarboxylate Traditional Name: (3E)-4-[(phenylthio)methyl]-3-[(phenylthio)methylene]cyclohexane-1,1-dicarboxylic acid dimethyl ester Formula: C24H26O4S2 MolecularWeight: 442.59084

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCC(C(=CSC2=CC=CC=C2)C1)CSC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1(CCC(/C(=C/SC2=CC=CC=C2)/C1)CSC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H26O4S2/c1-27-22(25)24(23(26)28-2)14-13-18(16-29-20-9-5-3-6-10-20)19(15-24)17-30-21-11-7-4-8-12-21/h3-12,17-18H,13-16H2,1-2H3/b19-17+