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

Systemtic Name: 3-[oxidanyl-(phenylmethyl)phosphoryl]-2-(2-phenylbutyl)octanoic acid Openeye Name: 3-[benzyl(hydroxy)phosphoryl]-2-(2-phenylbutyl)octanoic acid CAS Name: 3-[hydroxy-(phenylmethyl)phosphoryl]-2-(2-phenylbutyl)octanoic acid IUPAC Name: 3-[benzyl(hydroxy)phosphoryl]-2-(2-phenylbutyl)octanoic acid Traditional Name: 3-[benzyl(hydroxy)phosphoryl]-2-(2-phenylbutyl)caprylic acid Formula: C25H35O4P MolecularWeight: 430.516761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CC(CC)C1=CC=CC=C1)C(=O)O)P(=O)(CC2=CC=CC=C2)O

Isomeric SMILES

CCCCCC(C(CC(CC)C1=CC=CC=C1)C(=O)O)P(=O)(CC2=CC=CC=C2)O

InChI

InChI=1S/C25H35O4P/c1-3-5-8-17-24(30(28,29)19-20-13-9-6-10-14-20)23(25(26)27)18-21(4-2)22-15-11-7-12-16-22/h6-7,9-16,21,23-24H,3-5,8,17-19H2,1-2H3,(H,26,27)(H,28,29)