cyclooctyl 3,4-dinitrobenzoate

Systemtic Name: cyclooctyl 3,4-dinitrobenzoate Openeye Name: cyclooctyl 3,4-dinitrobenzoate CAS Name: 3,4-dinitrobenzoic acid cyclooctyl ester IUPAC Name: cyclooctyl 3,4-dinitrobenzoate Traditional Name: 3,4-dinitrobenzoic acid cyclooctyl ester Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)OC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CCC1)OC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O6/c18-15(23-12-6-4-2-1-3-5-7-12)11-8-9-13(16(19)20)14(10-11)17(21)22/h8-10,12H,1-7H2