3-[oxidanyl-(phenylmethyl)phosphoryl]-2-propyl-octanoic acid

Systemtic Name: 3-[oxidanyl-(phenylmethyl)phosphoryl]-2-propyl-octanoic acid Openeye Name: 3-[benzyl(hydroxy)phosphoryl]-2-propyl-octanoic acid CAS Name: 3-[hydroxy-(phenylmethyl)phosphoryl]-2-propyloctanoic acid IUPAC Name: 3-[benzyl(hydroxy)phosphoryl]-2-propyloctanoic acid Traditional Name: 3-[benzyl(hydroxy)phosphoryl]-2-propyl-caprylic acid Formula: C18H29O4P MolecularWeight: 340.394221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CCC)C(=O)O)P(=O)(CC1=CC=CC=C1)O

Isomeric SMILES

CCCCCC(C(CCC)C(=O)O)P(=O)(CC1=CC=CC=C1)O

InChI

InChI=1S/C18H29O4P/c1-3-5-7-13-17(16(10-4-2)18(19)20)23(21,22)14-15-11-8-6-9-12-15/h6,8-9,11-12,16-17H,3-5,7,10,13-14H2,1-2H3,(H,19,20)(H,21,22)