[(1R,2R)-2-(4-methylphenoxy)cyclohexyl] 3,5-dinitrobenzoate

Systemtic Name: [(1R,2R)-2-(4-methylphenoxy)cyclohexyl] 3,5-dinitrobenzoate Openeye Name: [(1R,2R)-2-(4-methylphenoxy)cyclohexyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(1R,2R)-2-(4-methylphenoxy)cyclohexyl] ester IUPAC Name: [(1R,2R)-2-(4-methylphenoxy)cyclohexyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1R,2R)-2-(4-methylphenoxy)cyclohexyl] ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2CCCCC2OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)O[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O7/c1-13-6-8-17(9-7-13)28-18-4-2-3-5-19(18)29-20(23)14-10-15(21(24)25)12-16(11-14)22(26)27/h6-12,18-19H,2-5H2,1H3/t18-,19-/m1/s1