4-[1-(4-carboxy-3-oxidanyl-phenyl)-2-oxidanyl-2-oxidanylidene-ethyl]phthalic acid

Systemtic Name: 4-[1-(4-carboxy-3-oxidanyl-phenyl)-2-oxidanyl-2-oxidanylidene-ethyl]phthalic acid Openeye Name: 4-[1-(4-carboxy-3-hydroxy-phenyl)-2-hydroxy-2-oxo-ethyl]phthalic acid CAS Name: 4-[1-(4-carboxy-3-hydroxyphenyl)-2-hydroxy-2-oxoethyl]phthalic acid IUPAC Name: 4-[1-(4-carboxy-3-hydroxyphenyl)-2-hydroxy-2-oxoethyl]phthalic acid Traditional Name: 4-[1-(4-carboxy-3-hydroxy-phenyl)-2-hydroxy-2-keto-ethyl]phthalic acid Formula: C17H12O9 MolecularWeight: 360.27178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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