(3-methylcyclohexyl) 3,5-dinitrobenzoate

Systemtic Name: (3-methylcyclohexyl) 3,5-dinitrobenzoate Openeye Name: (3-methylcyclohexyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (3-methylcyclohexyl) ester IUPAC Name: (3-methylcyclohexyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (3-methylcyclohexyl) ester Formula: C14H16N2O6 MolecularWeight: 308.28664

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CCCC(C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O6/c1-9-3-2-4-13(5-9)22-14(17)10-6-11(15(18)19)8-12(7-10)16(20)21/h6-9,13H,2-5H2,1H3