4-[1-(3,4-dicarboxyphenyl)-2-oxidanylidene-ethyl]phthalic acid

Systemtic Name: 4-[1-(3,4-dicarboxyphenyl)-2-oxidanylidene-ethyl]phthalic acid Openeye Name: 4-[1-(3,4-dicarboxyphenyl)-2-oxo-ethyl]phthalic acid CAS Name: 4-[1-(3,4-dicarboxyphenyl)-2-oxoethyl]phthalic acid IUPAC Name: 4-[1-(3,4-dicarboxyphenyl)-2-oxoethyl]phthalic acid Traditional Name: 4-[1-(3,4-dicarboxyphenyl)-2-keto-ethyl]phthalic acid Formula: C18H12O9 MolecularWeight: 372.28248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12O9/c19-7-14(8-1-3-10(15(20)21)12(5-8)17(24)25)9-2-4-11(16(22)23)13(6-9)18(26)27/h1-7,14H,(H,20,21)(H,22,23)(H,24,25)(H,26,27)