trimethyl 4,6-bis(phenylsulfanyl)cyclohexane-1,1,2-tricarboxylate

Systemtic Name: trimethyl 4,6-bis(phenylsulfanyl)cyclohexane-1,1,2-tricarboxylate Openeye Name: trimethyl 4,6-bis(phenylsulfanyl)cyclohexane-1,1,2-tricarboxylate CAS Name: 4,6-bis(phenylthio)cyclohexane-1,1,2-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl 4,6-bis(phenylsulfanyl)cyclohexane-1,1,2-tricarboxylate Traditional Name: 4,6-bis(phenylthio)cyclohexane-1,1,2-tricarboxylic acid trimethyl ester Formula: C24H26O6S2 MolecularWeight: 474.58964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CC(C1(C(=O)OC)C(=O)OC)SC2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CC(CC(C1(C(=O)OC)C(=O)OC)SC2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C24H26O6S2/c1-28-21(25)19-14-18(31-16-10-6-4-7-11-16)15-20(32-17-12-8-5-9-13-17)24(19,22(26)29-2)23(27)30-3/h4-13,18-20H,14-15H2,1-3H3