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

Systemtic Name: bis[5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] but-2-enedioate Openeye Name: bis[5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-oxo-cyclohexen-1-yl] but-2-enedioate CAS Name: 2-butenedioic acid bis[5,5-dimethyl-2-[(4-nitrophenyl)thio]-3-oxo-1-cyclohexenyl] ester IUPAC Name: bis[5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] but-2-enedioate Traditional Name: but-2-enedioic acid bis[3-keto-5,5-dimethyl-2-[(4-nitrophenyl)thio]cyclohexen-1-yl] ester Formula: C32H30N2O10S2 MolecularWeight: 666.718

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)SC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C=CC(=O)OC3=C(C(=O)CC(C3)(C)C)SC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)SC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C=CC(=O)OC3=C(C(=O)CC(C3)(C)C)SC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C32H30N2O10S2/c1-31(2)15-23(35)29(45-21-9-5-19(6-10-21)33(39)40)25(17-31)43-27(37)13-14-28(38)44-26-18-32(3,4)16-24(36)30(26)46-22-11-7-20(8-12-22)34(41)42/h5-14H,15-18H2,1-4H3