2-[(3,4-dimethoxyphenyl)methyl]-3-phosphono-butanedioic acid

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl]-3-phosphono-butanedioic acid Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl]-3-phosphono-butanedioic acid CAS Name: 2-[(3,4-dimethoxyphenyl)methyl]-3-phosphonobutanedioic acid IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl]-3-phosphonobutanedioic acid Traditional Name: 2-phosphono-3-veratryl-succinic acid Formula: C13H17O9P MolecularWeight: 348.242441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17O9P/c1-21-9-4-3-7(6-10(9)22-2)5-8(12(14)15)11(13(16)17)23(18,19)20/h3-4,6,8,11H,5H2,1-2H3,(H,14,15)(H,16,17)(H2,18,19,20)