5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: 5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-oxo-cyclohexen-1-olate CAS Name: 5,5-dimethyl-2-[(4-nitrophenyl)thio]-3-oxo-1-cyclohexenolate IUPAC Name: 5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-oxocyclohexen-1-olate Traditional Name: 3-keto-5,5-dimethyl-2-[(4-nitrophenyl)thio]cyclohexen-1-olate Formula: C14H14NO4S- MolecularWeight: 292.33026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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