2-[1-[(3-methylphenyl)methyl-oxidanyl-phosphoryl]butyl]pentanedioic acid

Systemtic Name: 2-[1-[(3-methylphenyl)methyl-oxidanyl-phosphoryl]butyl]pentanedioic acid Openeye Name: 2-[1-[hydroxy(m-tolylmethyl)phosphoryl]butyl]pentanedioic acid CAS Name: 2-[1-[hydroxy-[(3-methylphenyl)methyl]phosphoryl]butyl]pentanedioic acid IUPAC Name: 2-[1-[hydroxy-[(3-methylphenyl)methyl]phosphoryl]butyl]pentanedioic acid Traditional Name: 2-[1-[hydroxy-(3-methylbenzyl)phosphoryl]butyl]glutaric acid Formula: C17H25O6P MolecularWeight: 356.350561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25O6P/c1-3-5-15(14(17(20)21)8-9-16(18)19)24(22,23)11-13-7-4-6-12(2)10-13/h4,6-7,10,14-15H,3,5,8-9,11H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)