2-(2-carboxy-4-oxidanyl-phenyl)-2-(4-carboxyphenyl)propanedioic acid

Systemtic Name: 2-(2-carboxy-4-oxidanyl-phenyl)-2-(4-carboxyphenyl)propanedioic acid Openeye Name: 2-(2-carboxy-4-hydroxy-phenyl)-2-(4-carboxyphenyl)propanedioic acid CAS Name: 2-(2-carboxy-4-hydroxyphenyl)-2-(4-carboxyphenyl)propanedioic acid IUPAC Name: 2-(2-carboxy-4-hydroxyphenyl)-2-(4-carboxyphenyl)propanedioic acid Traditional Name: 2-(2-carboxy-4-hydroxy-phenyl)-2-(4-carboxyphenyl)malonic acid Formula: C17H12O9 MolecularWeight: 360.27178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)C(C2=C(C=C(C=C2)O)C(=O)O)(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)C(C2=C(C=C(C=C2)O)C(=O)O)(C(=O)O)C(=O)O

InChI

InChI=1S/C17H12O9/c18-10-5-6-12(11(7-10)14(21)22)17(15(23)24,16(25)26)9-3-1-8(2-4-9)13(19)20/h1-7,18H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)