[(1S,3S)-1-methyl-3-phenyl-cyclooctyl] 3,5-dinitrobenzoate

Systemtic Name: [(1S,3S)-1-methyl-3-phenyl-cyclooctyl] 3,5-dinitrobenzoate Openeye Name: [(1S,3S)-1-methyl-3-phenyl-cyclooctyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(1S,3S)-1-methyl-3-phenylcyclooctyl] ester IUPAC Name: [(1S,3S)-1-methyl-3-phenylcyclooctyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1S,3S)-1-methyl-3-phenyl-cyclooctyl] ester Formula: C22H24N2O6 MolecularWeight: 412.43576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCCC(C1)C2=CC=CC=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O6/c1-22(11-7-3-6-10-17(15-22)16-8-4-2-5-9-16)30-21(25)18-12-19(23(26)27)14-20(13-18)24(28)29/h2,4-5,8-9,12-14,17H,3,6-7,10-11,15H2,1H3/t17-,22-/m0/s1