[(S)-(4-nitrophenyl)-[(1R,2S)-2-oxidanyl-1-phenyl-cyclohexyl]methyl] 4-nitrobenzoate

Systemtic Name: [(S)-(4-nitrophenyl)-[(1R,2S)-2-oxidanyl-1-phenyl-cyclohexyl]methyl] 4-nitrobenzoate Openeye Name: [(S)-[(1R,2S)-2-hydroxy-1-phenyl-cyclohexyl]-(4-nitrophenyl)methyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(S)-[(1R,2S)-2-hydroxy-1-phenylcyclohexyl]-(4-nitrophenyl)methyl] ester IUPAC Name: [(S)-[(1R,2S)-2-hydroxy-1-phenylcyclohexyl]-(4-nitrophenyl)methyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(S)-[(1R,2S)-2-hydroxy-1-phenyl-cyclohexyl]-(4-nitrophenyl)methyl] ester Formula: C26H24N2O7 MolecularWeight: 476.47796

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)O)(C2=CC=CC=C2)C(C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC[C@]([C@H](C1)O)(C2=CC=CC=C2)[C@H](C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H24N2O7/c29-23-8-4-5-17-26(23,20-6-2-1-3-7-20)24(18-9-13-21(14-10-18)27(31)32)35-25(30)19-11-15-22(16-12-19)28(33)34/h1-3,6-7,9-16,23-24,29H,4-5,8,17H2/t23-,24-,26+/m0/s1