3-[2-(4-octylphenyl)-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 3-[2-(4-octylphenyl)-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 3-[2-(4-octylphenyl)-2-oxo-ethyl]benzoic acid CAS Name: 3-[2-(4-octylphenyl)-2-oxoethyl]benzoic acid IUPAC Name: 3-[2-(4-octylphenyl)-2-oxoethyl]benzoic acid Traditional Name: 3-[2-keto-2-(4-octylphenyl)ethyl]benzoic acid Formula: C23H28O3 MolecularWeight: 352.46662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)CC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)CC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C23H28O3/c1-2-3-4-5-6-7-9-18-12-14-20(15-13-18)22(24)17-19-10-8-11-21(16-19)23(25)26/h8,10-16H,2-7,9,17H2,1H3,(H,25,26)