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

Systemtic Name: bis[5,5-dimethyl-2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] (E)-but-2-enedioate Openeye Name: bis[5,5-dimethyl-2-(2-nitrophenyl)sulfanyl-3-oxo-cyclohexen-1-yl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid bis[5,5-dimethyl-2-[(2-nitrophenyl)thio]-3-oxo-1-cyclohexenyl] ester IUPAC Name: bis[5,5-dimethyl-2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid bis[3-keto-5,5-dimethyl-2-[(2-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=CC=C2[N+](=O)[O-])OC(=O)C=CC(=O)OC3=C(C(=O)CC(C3)(C)C)SC4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C32H30N2O10S2/c1-31(2)15-21(35)29(45-25-11-7-5-9-19(25)33(39)40)23(17-31)43-27(37)13-14-28(38)44-24-18-32(3,4)16-22(36)30(24)46-26-12-8-6-10-20(26)34(41)42/h5-14H,15-18H2,1-4H3/b14-13+