(2S)-2-[[2-(4-hydroxyphenyl)ethoxy-oxidanyl-phosphoryl]methyl]pentanedioic acid

Systemtic Name: (2S)-2-[[2-(4-hydroxyphenyl)ethoxy-oxidanyl-phosphoryl]methyl]pentanedioic acid Openeye Name: (2S)-2-[[hydroxy-[2-(4-hydroxyphenyl)ethoxy]phosphoryl]methyl]pentanedioic acid CAS Name: (2S)-2-[[hydroxy-[2-(4-hydroxyphenyl)ethoxy]phosphoryl]methyl]pentanedioic acid IUPAC Name: (2S)-2-[[hydroxy-[2-(4-hydroxyphenyl)ethoxy]phosphoryl]methyl]pentanedioic acid Traditional Name: (2S)-2-[[hydroxy-[2-(4-hydroxyphenyl)ethoxy]phosphoryl]methyl]glutaric acid Formula: C14H19O8P MolecularWeight: 346.269621

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCOP(=O)(CC(CCC(=O)O)C(=O)O)O)O

Isomeric SMILES

C1=CC(=CC=C1CCOP(=O)(C[C@@H](CCC(=O)O)C(=O)O)O)O

InChI

InChI=1S/C14H19O8P/c15-12-4-1-10(2-5-12)7-8-22-23(20,21)9-11(14(18)19)3-6-13(16)17/h1-2,4-5,11,15H,3,6-9H2,(H,16,17)(H,18,19)(H,20,21)/t11-/m1/s1