5,5-dimethyl-2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: 5,5-dimethyl-2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 5,5-dimethyl-2-(2-nitrophenyl)sulfanyl-3-oxo-cyclohexen-1-olate CAS Name: 5,5-dimethyl-2-[(2-nitrophenyl)thio]-3-oxo-1-cyclohexenolate IUPAC Name: 5,5-dimethyl-2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-olate Traditional Name: 3-keto-5,5-dimethyl-2-[(2-nitrophenyl)thio]cyclohexen-1-olate Formula: C14H14NO4S- MolecularWeight: 292.33026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO4S/c1-14(2)7-10(16)13(11(17)8-14)20-12-6-4-3-5-9(12)15(18)19/h3-6,16H,7-8H2,1-2H3/p-1