bis[2-(4-chlorophenyl)sulfanyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] (E)-but-2-enedioate

Systemtic Name: bis[2-(4-chlorophenyl)sulfanyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] (E)-but-2-enedioate Openeye Name: bis[2-(4-chlorophenyl)sulfanyl-5,5-dimethyl-3-oxo-cyclohexen-1-yl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid bis[2-[(4-chlorophenyl)thio]-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: bis[2-(4-chlorophenyl)sulfanyl-5,5-dimethyl-3-oxocyclohexen-1-yl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid bis[2-[(4-chlorophenyl)thio]-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C32H30Cl2O6S2 MolecularWeight: 645.613

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)SC2=CC=C(C=C2)Cl)OC(=O)C=CC(=O)OC3=C(C(=O)CC(C3)(C)C)SC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)SC2=CC=C(C=C2)Cl)OC(=O)/C=C/C(=O)OC3=C(C(=O)CC(C3)(C)C)SC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C32H30Cl2O6S2/c1-31(2)15-23(35)29(41-21-9-5-19(33)6-10-21)25(17-31)39-27(37)13-14-28(38)40-26-18-32(3,4)16-24(36)30(26)42-22-11-7-20(34)8-12-22/h5-14H,15-18H2,1-4H3/b14-13+