2-[[(4-methylphenyl)-oxidanyl-phosphoryl]methyl]pentanedioic acid

Systemtic Name: 2-[[(4-methylphenyl)-oxidanyl-phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[hydroxy(p-tolyl)phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[hydroxy-(4-methylphenyl)phosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[hydroxy-(4-methylphenyl)phosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[hydroxy(p-tolyl)phosphoryl]methyl]glutaric acid Formula: C13H17O6P MolecularWeight: 300.244241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17O6P/c1-9-2-5-11(6-3-9)20(18,19)8-10(13(16)17)4-7-12(14)15/h2-3,5-6,10H,4,7-8H2,1H3,(H,14,15)(H,16,17)(H,18,19)