6-(4-heptyl-3-nitro-phenyl)-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-(4-heptyl-3-nitro-phenyl)-6-oxidanylidene-hexanoic acid Openeye Name: 6-(4-heptyl-3-nitro-phenyl)-6-oxo-hexanoic acid CAS Name: 6-(4-heptyl-3-nitrophenyl)-6-oxohexanoic acid IUPAC Name: 6-(4-heptyl-3-nitrophenyl)-6-oxohexanoic acid Traditional Name: 6-(4-heptyl-3-nitro-phenyl)-6-keto-hexanoic acid Formula: C19H27NO5 MolecularWeight: 349.42138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C=C1)C(=O)CCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC1=C(C=C(C=C1)C(=O)CCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H27NO5/c1-2-3-4-5-6-9-15-12-13-16(14-17(15)20(24)25)18(21)10-7-8-11-19(22)23/h12-14H,2-11H2,1H3,(H,22,23)