(2,2-dimethoxycyclohexyl) 3,5-dinitrobenzoate

Systemtic Name: (2,2-dimethoxycyclohexyl) 3,5-dinitrobenzoate Openeye Name: (2,2-dimethoxycyclohexyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (2,2-dimethoxycyclohexyl) ester IUPAC Name: (2,2-dimethoxycyclohexyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (2,2-dimethoxycyclohexyl) ester Formula: C15H18N2O8 MolecularWeight: 354.31202

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CCCCC1OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1(CCCCC1OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C15H18N2O8/c1-23-15(24-2)6-4-3-5-13(15)25-14(18)10-7-11(16(19)20)9-12(8-10)17(21)22/h7-9,13H,3-6H2,1-2H3