2-[[cyclohexa-2,4-dien-1-ylperoxy(oxidanyl)phosphoryl]methyl]pentanedioic acid

Systemtic Name: 2-[[cyclohexa-2,4-dien-1-ylperoxy(oxidanyl)phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[cyclohexa-2,4-dien-1-ylperoxy(hydroxy)phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[1-cyclohexa-2,4-dienyldioxy(hydroxy)phosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[cyclohexa-2,4-dien-1-ylperoxy(hydroxy)phosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[cyclohexa-2,4-dien-1-ylperoxy(hydroxy)phosphoryl]methyl]glutaric acid Formula: C12H17O8P MolecularWeight: 320.232341

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC1OOP(=O)(CC(CCC(=O)O)C(=O)O)O

Isomeric SMILES

C1C=CC=CC1OOP(=O)(CC(CCC(=O)O)C(=O)O)O

InChI

InChI=1S/C12H17O8P/c13-11(14)7-6-9(12(15)16)8-21(17,18)20-19-10-4-2-1-3-5-10/h1-4,9-10H,5-8H2,(H,13,14)(H,15,16)(H,17,18)