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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17O9P/c1-13(12(16)17,23(18,19)20)10(11(14)15)7-4-5-8(21-2)9(6-7)22-3/h4-6,10H,1-3H3,(H,14,15)(H,16,17)(H2,18,19,20)