[(2R,3S,4S)-4-methyl-2-(3-nitrophenyl)-4-oxidanyl-6-oxidanylidene-3-(phenylcarbonyl)cyclohexylidene]-phenyl-methanolate

Systemtic Name: [(2R,3S,4S)-4-methyl-2-(3-nitrophenyl)-4-oxidanyl-6-oxidanylidene-3-(phenylcarbonyl)cyclohexylidene]-phenyl-methanolate Openeye Name: [(2R,3S,4S)-3-benzoyl-4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxo-cyclohexylidene]-phenyl-methanolate CAS Name: [(2R,3S,4S)-3-benzoyl-4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexylidene]-phenylmethanolate IUPAC Name: [(2R,3S,4S)-3-benzoyl-4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexylidene]-phenylmethanolate Traditional Name: [(2R,3S,4S)-3-benzoyl-4-hydroxy-6-keto-4-methyl-2-(3-nitrophenyl)cyclohexylidene]-phenyl-methanolate Formula: C27H22NO6- MolecularWeight: 456.46668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=C(C2=CC=CC=C2)[O-])C(C1C(=O)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])O

Isomeric SMILES

C[C@@]1(CC(=O)C(=C(C2=CC=CC=C2)[O-])[C@H]([C@@H]1C(=O)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])O

InChI

InChI=1S/C27H23NO6/c1-27(32)16-21(29)23(25(30)17-9-4-2-5-10-17)22(19-13-8-14-20(15-19)28(33)34)24(27)26(31)18-11-6-3-7-12-18/h2-15,22,24,30,32H,16H2,1H3/p-1/t22-,24-,27+/m1/s1