octyl 4-chloranyl-3,5-dinitro-benzoate

Systemtic Name: octyl 4-chloranyl-3,5-dinitro-benzoate Openeye Name: octyl 4-chloro-3,5-dinitro-benzoate CAS Name: 4-chloro-3,5-dinitrobenzoic acid octyl ester IUPAC Name: octyl 4-chloro-3,5-dinitrobenzoate Traditional Name: 4-chloro-3,5-dinitro-benzoic acid octyl ester Formula: C15H19ClN2O6 MolecularWeight: 358.77416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H19ClN2O6/c1-2-3-4-5-6-7-8-24-15(19)11-9-12(17(20)21)14(16)13(10-11)18(22)23/h9-10H,2-8H2,1H3