[(1S,2R,4S,5S,6R)-5-nitro-2-oxidanyl-2,4,6-triphenyl-cyclohexyl]-phenyl-methanone

Systemtic Name: [(1S,2R,4S,5S,6R)-5-nitro-2-oxidanyl-2,4,6-triphenyl-cyclohexyl]-phenyl-methanone Openeye Name: [(1S,2R,4S,5S,6R)-2-hydroxy-5-nitro-2,4,6-triphenyl-cyclohexyl]-phenyl-methanone CAS Name: [(1S,2R,4S,5S,6R)-2-hydroxy-5-nitro-2,4,6-triphenylcyclohexyl]-phenylmethanone IUPAC Name: [(1S,2R,4S,5S,6R)-2-hydroxy-5-nitro-2,4,6-triphenylcyclohexyl]-phenylmethanone Traditional Name: [(1S,2R,4S,5S,6R)-2-hydroxy-5-nitro-2,4,6-triphenyl-cyclohexyl]-phenyl-methanone Formula: C31H27NO4 MolecularWeight: 477.55038

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1(C2=CC=CC=C2)O)C(=O)C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1[C@H]([C@@H]([C@H]([C@@H]([C@]1(C2=CC=CC=C2)O)C(=O)C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C31H27NO4/c33-30(24-17-9-3-10-18-24)28-27(23-15-7-2-8-16-23)29(32(35)36)26(22-13-5-1-6-14-22)21-31(28,34)25-19-11-4-12-20-25/h1-20,26-29,34H,21H2/t26-,27-,28+,29-,31-/m0/s1