[(3R)-3-(2-nitrophenyl)sulfanyl-2-oxidanylidene-cyclohexylidene]-phenyl-methanolate

Systemtic Name: [(3R)-3-(2-nitrophenyl)sulfanyl-2-oxidanylidene-cyclohexylidene]-phenyl-methanolate Openeye Name: [(3R)-3-(2-nitrophenyl)sulfanyl-2-oxo-cyclohexylidene]-phenyl-methanolate CAS Name: [(3R)-3-[(2-nitrophenyl)thio]-2-oxocyclohexylidene]-phenylmethanolate IUPAC Name: [(3R)-3-(2-nitrophenyl)sulfanyl-2-oxocyclohexylidene]-phenylmethanolate Traditional Name: [(3R)-2-keto-3-[(2-nitrophenyl)thio]cyclohexylidene]-phenyl-methanolate Formula: C19H16NO4S- MolecularWeight: 354.39964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C(=C(C2=CC=CC=C2)[O-])C1)SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1C[C@H](C(=O)C(=C(C2=CC=CC=C2)[O-])C1)SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H17NO4S/c21-18(13-7-2-1-3-8-13)14-9-6-12-17(19(14)22)25-16-11-5-4-10-15(16)20(23)24/h1-5,7-8,10-11,17,21H,6,9,12H2/p-1/t17-/m1/s1