4-[2-(3,4-dicarboxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]phthalic acid

Systemtic Name: 4-[2-(3,4-dicarboxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]phthalic acid Openeye Name: 4-[1-(3,4-dicarboxyphenyl)-2-hydroxy-1-methyl-2-oxo-ethyl]phthalic acid CAS Name: 4-[2-(3,4-dicarboxyphenyl)-1-hydroxy-1-oxopropan-2-yl]phthalic acid IUPAC Name: 4-[2-(3,4-dicarboxyphenyl)-1-hydroxy-1-oxopropan-2-yl]phthalic acid Traditional Name: 4-[1-(3,4-dicarboxyphenyl)-2-hydroxy-2-keto-1-methyl-ethyl]phthalic acid Formula: C19H14O10 MolecularWeight: 402.30846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C(=O)O)C(=O)O)(C2=CC(=C(C=C2)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)C(=O)O)C(=O)O)(C2=CC(=C(C=C2)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C19H14O10/c1-19(18(28)29,8-2-4-10(14(20)21)12(6-8)16(24)25)9-3-5-11(15(22)23)13(7-9)17(26)27/h2-7H,1H3,(H,20,21)(H,22,23)(H,24,25)(H,26,27)(H,28,29)