[(1R)-1-[(1R)-4-methylcyclohex-3-en-1-yl]ethyl] 3,5-dinitrobenzoate

Systemtic Name: [(1R)-1-[(1R)-4-methylcyclohex-3-en-1-yl]ethyl] 3,5-dinitrobenzoate Openeye Name: [(1R)-1-[(1R)-4-methylcyclohex-3-en-1-yl]ethyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(1R)-1-[(1R)-4-methyl-1-cyclohex-3-enyl]ethyl] ester IUPAC Name: [(1R)-1-[(1R)-4-methylcyclohex-3-en-1-yl]ethyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1R)-1-[(1R)-4-methylcyclohex-3-en-1-yl]ethyl] ester Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(CC1)C(C)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC[C@@H](CC1)[C@@H](C)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O6/c1-10-3-5-12(6-4-10)11(2)24-16(19)13-7-14(17(20)21)9-15(8-13)18(22)23/h3,7-9,11-12H,4-6H2,1-2H3/t11-,12+/m1/s1