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

Systemtic Name: 4-[2-(3,4-dicarboxyphenyl)ethyl]phthalic acid Openeye Name: 4-[2-(3,4-dicarboxyphenyl)ethyl]phthalic acid CAS Name: 4-[2-(3,4-dicarboxyphenyl)ethyl]phthalic acid IUPAC Name: 4-[2-(3,4-dicarboxyphenyl)ethyl]phthalic acid Traditional Name: 4-[2-(3,4-dicarboxyphenyl)ethyl]phthalic acid Formula: C18H14O8 MolecularWeight: 358.29896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCC2=CC(=C(C=C2)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1CCC2=CC(=C(C=C2)C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C18H14O8/c19-15(20)11-5-3-9(7-13(11)17(23)24)1-2-10-4-6-12(16(21)22)14(8-10)18(25)26/h3-8H,1-2H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)