hex-2-ynyl 3,5-dinitrobenzoate

Systemtic Name: hex-2-ynyl 3,5-dinitrobenzoate Openeye Name: hex-2-ynyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid hex-2-ynyl ester IUPAC Name: hex-2-ynyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid hex-2-ynyl ester Formula: C13H12N2O6 MolecularWeight: 292.24418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O6/c1-2-3-4-5-6-21-13(16)10-7-11(14(17)18)9-12(8-10)15(19)20/h7-9H,2-3,6H2,1H3