methylbenzene; 2-[[(2-methyl-3-oxidanyl-3-oxidanylidene-propyl)-oxidanyl-phosphoryl]methyl]pentanedioic acid

Systemtic Name: methylbenzene; 2-[[(2-methyl-3-oxidanyl-3-oxidanylidene-propyl)-oxidanyl-phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[hydroxy-(3-hydroxy-2-methyl-3-oxo-propyl)phosphoryl]methyl]pentanedioic acid; toluene CAS Name: 2-[[hydroxy-(3-hydroxy-2-methyl-3-oxopropyl)phosphoryl]methyl]pentanedioic acid; toluene IUPAC Name: 2-[[hydroxy-(3-hydroxy-2-methyl-3-oxopropyl)phosphoryl]methyl]pentanedioic acid; toluene Traditional Name: 2-[[hydroxy-(3-hydroxy-3-keto-2-methyl-propyl)phosphoryl]methyl]glutaric acid; toluene Formula: C17H25O8P MolecularWeight: 388.349361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H17O8P.C7H8/c1-6(9(13)14)4-19(17,18)5-7(10(15)16)2-3-8(11)12;1-7-5-3-2-4-6-7/h6-7H,2-5H2,1H3,(H,11,12)(H,13,14)(H,15,16)(H,17,18);2-6H,1H3