4-(4-octadecylphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-octadecylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-octadecylphenyl)-4-oxo-butanoic acid CAS Name: 4-(4-octadecylphenyl)-4-oxobutanoic acid IUPAC Name: 4-(4-octadecylphenyl)-4-oxobutanoic acid Traditional Name: 4-keto-4-(4-stearylphenyl)butyric acid Formula: C28H46O3 MolecularWeight: 430.66304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)CCC(=O)O

InChI

InChI=1S/C28H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-19-21-26(22-20-25)27(29)23-24-28(30)31/h19-22H,2-18,23-24H2,1H3,(H,30,31)