[2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 4-tert-butylbenzoate

Systemtic Name: [2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 4-tert-butylbenzoate Openeye Name: [2-(2-nitrophenyl)sulfanyl-3-oxo-cyclohexen-1-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-[(2-nitrophenyl)thio]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [3-keto-2-[(2-nitrophenyl)thio]cyclohexen-1-yl] ester Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C(C(=O)CCC2)SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C(C(=O)CCC2)SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C23H23NO5S/c1-23(2,3)16-13-11-15(12-14-16)22(26)29-19-9-6-8-18(25)21(19)30-20-10-5-4-7-17(20)24(27)28/h4-5,7,10-14H,6,8-9H2,1-3H3