3-[oxidanyl-(phenylmethyl)phosphoryl]-2-(phenylmethyl)hexanoic acid

Systemtic Name: 3-[oxidanyl-(phenylmethyl)phosphoryl]-2-(phenylmethyl)hexanoic acid Openeye Name: 2-benzyl-3-[benzyl(hydroxy)phosphoryl]hexanoic acid CAS Name: 3-[hydroxy-(phenylmethyl)phosphoryl]-2-(phenylmethyl)hexanoic acid IUPAC Name: 2-benzyl-3-[benzyl(hydroxy)phosphoryl]hexanoic acid Traditional Name: 2-benzyl-3-[benzyl(hydroxy)phosphoryl]hexanoic acid Formula: C20H25O4P MolecularWeight: 360.383861

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC1=CC=CC=C1)C(=O)O)P(=O)(CC2=CC=CC=C2)O

Isomeric SMILES

CCCC(C(CC1=CC=CC=C1)C(=O)O)P(=O)(CC2=CC=CC=C2)O

InChI

InChI=1S/C20H25O4P/c1-2-9-19(25(23,24)15-17-12-7-4-8-13-17)18(20(21)22)14-16-10-5-3-6-11-16/h3-8,10-13,18-19H,2,9,14-15H2,1H3,(H,21,22)(H,23,24)