12-phenylmethoxyoctadecanoic acid

Systemtic Name: 12-phenylmethoxyoctadecanoic acid Openeye Name: 12-benzyloxyoctadecanoic acid CAS Name: 12-phenylmethoxyoctadecanoic acid IUPAC Name: 12-phenylmethoxyoctadecanoic acid Traditional Name: 12-benzoxystearic acid Formula: C25H42O3 MolecularWeight: 390.59918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCC(=O)O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCC(CCCCCCCCCCC(=O)O)OCC1=CC=CC=C1

InChI

InChI=1S/C25H42O3/c1-2-3-4-14-19-24(28-22-23-17-12-11-13-18-23)20-15-9-7-5-6-8-10-16-21-25(26)27/h11-13,17-18,24H,2-10,14-16,19-22H2,1H3,(H,26,27)