[(1R,2R)-2-(diphenylmethyl)oxycyclohexyl] 3,5-dinitrobenzoate

Systemtic Name: [(1R,2R)-2-(diphenylmethyl)oxycyclohexyl] 3,5-dinitrobenzoate Openeye Name: [(1R,2R)-2-benzhydryloxycyclohexyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(1R,2R)-2-(diphenylmethyl)oxycyclohexyl] ester IUPAC Name: [(1R,2R)-2-benzhydryloxycyclohexyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1R,2R)-2-benzhydryloxycyclohexyl] ester Formula: C26H24N2O7 MolecularWeight: 476.47796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O7/c29-26(20-15-21(27(30)31)17-22(16-20)28(32)33)35-24-14-8-7-13-23(24)34-25(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,15-17,23-25H,7-8,13-14H2/t23-,24-/m1/s1