2-[[oxidanyl-(2,3,4-trimethoxyphenyl)phosphoryl]methyl]pentanedioic acid

Systemtic Name: 2-[[oxidanyl-(2,3,4-trimethoxyphenyl)phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[hydroxy-(2,3,4-trimethoxyphenyl)phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[hydroxy-(2,3,4-trimethoxyphenyl)phosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[hydroxy-(2,3,4-trimethoxyphenyl)phosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[hydroxy-(2,3,4-trimethoxyphenyl)phosphoryl]methyl]glutaric acid Formula: C15H21O9P MolecularWeight: 376.295601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)P(=O)(CC(CCC(=O)O)C(=O)O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)P(=O)(CC(CCC(=O)O)C(=O)O)O)OC)OC

InChI

InChI=1S/C15H21O9P/c1-22-10-5-6-11(14(24-3)13(10)23-2)25(20,21)8-9(15(18)19)4-7-12(16)17/h5-6,9H,4,7-8H2,1-3H3,(H,16,17)(H,18,19)(H,20,21)