2-(3-oxidanylidene-3-phenylmethoxy-propyl)hexadecanoic acid

Systemtic Name: 2-(3-oxidanylidene-3-phenylmethoxy-propyl)hexadecanoic acid Openeye Name: 2-(3-benzyloxy-3-oxo-propyl)hexadecanoic acid CAS Name: 2-(3-oxo-3-phenylmethoxypropyl)hexadecanoic acid IUPAC Name: 2-(3-oxo-3-phenylmethoxypropyl)hexadecanoic acid Traditional Name: 2-(3-benzoxy-3-keto-propyl)palmitic acid Formula: C26H42O4 MolecularWeight: 418.60928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCC(=O)OCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(CCC(=O)OCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C26H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-24(26(28)29)20-21-25(27)30-22-23-17-14-13-15-18-23/h13-15,17-18,24H,2-12,16,19-22H2,1H3,(H,28,29)