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

Systemtic Name: [5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 2,4-bis(chloranyl)benzoate Openeye Name: [5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-oxo-cyclohexen-1-yl] 2,4-dichlorobenzoate CAS Name: 2,4-dichlorobenzoic acid [5,5-dimethyl-2-[(4-nitrophenyl)thio]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 2,4-dichlorobenzoate Traditional Name: 2,4-dichlorobenzoic acid [3-keto-5,5-dimethyl-2-[(4-nitrophenyl)thio]cyclohexen-1-yl] ester Formula: C21H17Cl2NO5S MolecularWeight: 466.33438

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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)C3=C(C=C(C=C3)Cl)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C21H17Cl2NO5S/c1-21(2)10-17(25)19(30-14-6-4-13(5-7-14)24(27)28)18(11-21)29-20(26)15-8-3-12(22)9-16(15)23/h3-9H,10-11H2,1-2H3