[(1R,6S)-6-methyl-3-propan-2-yl-cyclohex-3-en-1-yl] 3,5-dinitrobenzoate

Systemtic Name: [(1R,6S)-6-methyl-3-propan-2-yl-cyclohex-3-en-1-yl] 3,5-dinitrobenzoate Openeye Name: [(1R,6S)-3-isopropyl-6-methyl-cyclohex-3-en-1-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(1R,6S)-6-methyl-3-propan-2-yl-1-cyclohex-3-enyl] ester IUPAC Name: [(1R,6S)-6-methyl-3-propan-2-ylcyclohex-3-en-1-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1R,6S)-3-isopropyl-6-methyl-cyclohex-3-en-1-yl] ester Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=C(CC1OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O6/c1-10(2)12-5-4-11(3)16(8-12)25-17(20)13-6-14(18(21)22)9-15(7-13)19(23)24/h5-7,9-11,16H,4,8H2,1-3H3/t11-,16+/m0/s1