2-(5-methyl-2-propan-2-yl-cyclohexyl)-3,5-dinitro-benzoate

Systemtic Name: 2-(5-methyl-2-propan-2-yl-cyclohexyl)-3,5-dinitro-benzoate Openeye Name: 2-(2-isopropyl-5-methyl-cyclohexyl)-3,5-dinitro-benzoate CAS Name: 2-(5-methyl-2-propan-2-ylcyclohexyl)-3,5-dinitrobenzoate IUPAC Name: 2-(5-methyl-2-propan-2-ylcyclohexyl)-3,5-dinitrobenzoate Traditional Name: 2-(2-isopropyl-5-methyl-cyclohexyl)-3,5-dinitro-benzoate Formula: C17H21N2O6- MolecularWeight: 349.35844

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C2=C(C=C(C=C2C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1CCC(C(C1)C2=C(C=C(C=C2C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C(C)C

InChI

InChI=1S/C17H22N2O6/c1-9(2)12-5-4-10(3)6-13(12)16-14(17(20)21)7-11(18(22)23)8-15(16)19(24)25/h7-10,12-13H,4-6H2,1-3H3,(H,20,21)/p-1