2-butyl-3-[oxidanyl-(phenylmethyl)phosphoryl]nonanoic acid

Systemtic Name: 2-butyl-3-[oxidanyl-(phenylmethyl)phosphoryl]nonanoic acid Openeye Name: 3-[benzyl(hydroxy)phosphoryl]-2-butyl-nonanoic acid CAS Name: 2-butyl-3-[hydroxy-(phenylmethyl)phosphoryl]nonanoic acid IUPAC Name: 3-[benzyl(hydroxy)phosphoryl]-2-butylnonanoic acid Traditional Name: 3-[benzyl(hydroxy)phosphoryl]-2-butyl-pelargonic acid Formula: C20H33O4P MolecularWeight: 368.447381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(CCCC)C(=O)O)P(=O)(CC1=CC=CC=C1)O

Isomeric SMILES

CCCCCCC(C(CCCC)C(=O)O)P(=O)(CC1=CC=CC=C1)O

InChI

InChI=1S/C20H33O4P/c1-3-5-7-11-15-19(18(20(21)22)14-6-4-2)25(23,24)16-17-12-9-8-10-13-17/h8-10,12-13,18-19H,3-7,11,14-16H2,1-2H3,(H,21,22)(H,23,24)