[(1R,2R,5S)-5-methyl-2-naphthalen-2-yloxy-cyclohexyl] 3,5-dinitrobenzoate

Systemtic Name: [(1R,2R,5S)-5-methyl-2-naphthalen-2-yloxy-cyclohexyl] 3,5-dinitrobenzoate Openeye Name: [(1R,2R,5S)-5-methyl-2-(2-naphthyloxy)cyclohexyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(1R,2R,5S)-5-methyl-2-(2-naphthalenyloxy)cyclohexyl] ester IUPAC Name: [(1R,2R,5S)-5-methyl-2-naphthalen-2-yloxycyclohexyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1R,2R,5S)-5-methyl-2-(2-naphthoxy)cyclohexyl] ester Formula: C24H22N2O7 MolecularWeight: 450.44068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H22N2O7/c1-15-6-9-22(32-21-8-7-16-4-2-3-5-17(16)13-21)23(10-15)33-24(27)18-11-19(25(28)29)14-20(12-18)26(30)31/h2-5,7-8,11-15,22-23H,6,9-10H2,1H3/t15-,22+,23+/m0/s1