hept-5-ynyl 3,5-dinitrobenzoate

Systemtic Name: hept-5-ynyl 3,5-dinitrobenzoate Openeye Name: hept-5-ynyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid hept-5-ynyl ester IUPAC Name: hept-5-ynyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid hept-5-ynyl ester Formula: C14H14N2O6 MolecularWeight: 306.27076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O6/c1-2-3-4-5-6-7-22-14(17)11-8-12(15(18)19)10-13(9-11)16(20)21/h8-10H,4-7H2,1H3