2-(2,6-dimethoxyphenyl)carbonyl-2,3-bis(oxidanyl)butanedioic acid

Systemtic Name: 2-(2,6-dimethoxyphenyl)carbonyl-2,3-bis(oxidanyl)butanedioic acid Openeye Name: 2-(2,6-dimethoxybenzoyl)-2,3-dihydroxy-butanedioic acid CAS Name: 2-[(2,6-dimethoxyphenyl)-oxomethyl]-2,3-dihydroxybutanedioic acid IUPAC Name: 2-(2,6-dimethoxybenzoyl)-2,3-dihydroxybutanedioic acid Traditional Name: 2-(2,6-dimethoxybenzoyl)-2,3-dihydroxy-succinic acid Formula: C13H14O9 MolecularWeight: 314.24486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O9/c1-21-6-4-3-5-7(22-2)8(6)9(14)13(20,12(18)19)10(15)11(16)17/h3-5,10,15,20H,1-2H3,(H,16,17)(H,18,19)