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

Systemtic Name: 2-[(4-methylphenyl)methyl-oxidanyl-phosphoryl]oxypentanedioic acid Openeye Name: 2-[hydroxy(p-tolylmethyl)phosphoryl]oxypentanedioic acid CAS Name: 2-[hydroxy-[(4-methylphenyl)methyl]phosphoryl]oxypentanedioic acid IUPAC Name: 2-[hydroxy-[(4-methylphenyl)methyl]phosphoryl]oxypentanedioic acid Traditional Name: 2-[hydroxy-(4-methylbenzyl)phosphoryl]oxyglutaric acid Formula: C13H17O7P MolecularWeight: 316.243641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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