2-(3-octadecoxyphenyl)-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-(3-octadecoxyphenyl)-2-oxidanylidene-ethanoic acid Openeye Name: 2-(3-octadecoxyphenyl)-2-oxo-acetic acid CAS Name: 2-(3-octadecoxyphenyl)-2-oxoacetic acid IUPAC Name: 2-(3-octadecoxyphenyl)-2-oxoacetic acid Traditional Name: 2-keto-2-(3-stearyloxyphenyl)acetic acid Formula: C26H42O4 MolecularWeight: 418.60928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC(=C1)C(=O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC(=C1)C(=O)C(=O)O

InChI

InChI=1S/C26H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-30-24-20-18-19-23(22-24)25(27)26(28)29/h18-20,22H,2-17,21H2,1H3,(H,28,29)