2-(3,4-dimethylphenyl)carbonyl-2,3-bis(oxidanyl)butanedioic acid

Systemtic Name: 2-(3,4-dimethylphenyl)carbonyl-2,3-bis(oxidanyl)butanedioic acid Openeye Name: 2-(3,4-dimethylbenzoyl)-2,3-dihydroxy-butanedioic acid CAS Name: 2-[(3,4-dimethylphenyl)-oxomethyl]-2,3-dihydroxybutanedioic acid IUPAC Name: 2-(3,4-dimethylbenzoyl)-2,3-dihydroxybutanedioic acid Traditional Name: 2-(3,4-dimethylbenzoyl)-2,3-dihydroxy-succinic acid Formula: C13H14O7 MolecularWeight: 282.24606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C(C(=O)O)O)(C(=O)O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C(C(=O)O)O)(C(=O)O)O)C

InChI

InChI=1S/C13H14O7/c1-6-3-4-8(5-7(6)2)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)