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

Systemtic Name: 2-[[oxidanyl-(phenylmethyl)phosphoryl]methyl]hexanoic acid Openeye Name: 2-[[benzyl(hydroxy)phosphoryl]methyl]hexanoic acid CAS Name: 2-[[hydroxy-(phenylmethyl)phosphoryl]methyl]hexanoic acid IUPAC Name: 2-[[benzyl(hydroxy)phosphoryl]methyl]hexanoic acid Traditional Name: 2-[[benzyl(hydroxy)phosphoryl]methyl]hexanoic acid Formula: C14H21O4P MolecularWeight: 284.287901

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CP(=O)(CC1=CC=CC=C1)O)C(=O)O

Isomeric SMILES

CCCCC(CP(=O)(CC1=CC=CC=C1)O)C(=O)O

InChI

InChI=1S/C14H21O4P/c1-2-3-9-13(14(15)16)11-19(17,18)10-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3,(H,15,16)(H,17,18)