2-[[oxidanyl(1-phenylbutyl)phosphoryl]methyl]pentanedioic acid

Systemtic Name: 2-[[oxidanyl(1-phenylbutyl)phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[hydroxy(1-phenylbutyl)phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[hydroxy(1-phenylbutyl)phosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[hydroxy(1-phenylbutyl)phosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[hydroxy(1-phenylbutyl)phosphoryl]methyl]glutaric acid Formula: C16H23O6P MolecularWeight: 342.323981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23O6P/c1-2-6-14(12-7-4-3-5-8-12)23(21,22)11-13(16(19)20)9-10-15(17)18/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H,17,18)(H,19,20)(H,21,22)