oct-3-ynyl 3,5-dinitrobenzoate

Systemtic Name: oct-3-ynyl 3,5-dinitrobenzoate Openeye Name: oct-3-ynyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid oct-3-ynyl ester IUPAC Name: oct-3-ynyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid oct-3-ynyl ester Formula: C15H16N2O6 MolecularWeight: 320.29734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CCCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC#CCCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O6/c1-2-3-4-5-6-7-8-23-15(18)12-9-13(16(19)20)11-14(10-12)17(21)22/h9-11H,2-4,7-8H2,1H3