ethyl 7-(4-hexylphenyl)-7-oxidanylidene-heptanoate

Systemtic Name: ethyl 7-(4-hexylphenyl)-7-oxidanylidene-heptanoate Openeye Name: ethyl 7-(4-hexylphenyl)-7-oxo-heptanoate CAS Name: 7-(4-hexylphenyl)-7-oxoheptanoic acid ethyl ester IUPAC Name: ethyl 7-(4-hexylphenyl)-7-oxoheptanoate Traditional Name: 7-(4-hexylphenyl)-7-keto-enanthic acid ethyl ester Formula: C21H32O3 MolecularWeight: 332.47698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)CCCCCC(=O)OCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)CCCCCC(=O)OCC

InChI

InChI=1S/C21H32O3/c1-3-5-6-8-11-18-14-16-19(17-15-18)20(22)12-9-7-10-13-21(23)24-4-2/h14-17H,3-13H2,1-2H3