2-(phenylmethyl)octadecanoic acid

Systemtic Name: 2-(phenylmethyl)octadecanoic acid Openeye Name: 2-benzyloctadecanoic acid CAS Name: 2-(phenylmethyl)octadecanoic acid IUPAC Name: 2-benzyloctadecanoic acid Traditional Name: 2-benzylstearic acid Formula: C25H42O2 MolecularWeight: 374.59978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24(25(26)27)22-23-19-16-15-17-20-23/h15-17,19-20,24H,2-14,18,21-22H2,1H3,(H,26,27)