2-[(3-methylphenyl)methyl-oxidanyl-phosphoryl]oxypentanedioic acid

Systemtic Name: 2-[(3-methylphenyl)methyl-oxidanyl-phosphoryl]oxypentanedioic acid Openeye Name: 2-[hydroxy(m-tolylmethyl)phosphoryl]oxypentanedioic acid CAS Name: 2-[hydroxy-[(3-methylphenyl)methyl]phosphoryl]oxypentanedioic acid IUPAC Name: 2-[hydroxy-[(3-methylphenyl)methyl]phosphoryl]oxypentanedioic acid Traditional Name: 2-[hydroxy-(3-methylbenzyl)phosphoryl]oxyglutaric acid Formula: C13H17O7P MolecularWeight: 316.243641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CP(=O)(O)OC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CP(=O)(O)OC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C13H17O7P/c1-9-3-2-4-10(7-9)8-21(18,19)20-11(13(16)17)5-6-12(14)15/h2-4,7,11H,5-6,8H2,1H3,(H,14,15)(H,16,17)(H,18,19)