(2-phenylcyclohexyl) 3,5-dinitrobenzoate

Systemtic Name: (2-phenylcyclohexyl) 3,5-dinitrobenzoate Openeye Name: (2-phenylcyclohexyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (2-phenylcyclohexyl) ester IUPAC Name: (2-phenylcyclohexyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (2-phenylcyclohexyl) ester Formula: C19H18N2O6 MolecularWeight: 370.35602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=CC=CC=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(C(C1)C2=CC=CC=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O6/c22-19(14-10-15(20(23)24)12-16(11-14)21(25)26)27-18-9-5-4-8-17(18)13-6-2-1-3-7-13/h1-3,6-7,10-12,17-18H,4-5,8-9H2