3-[6-(2,3-dicarboxyphenyl)hexyl]phthalic acid

Systemtic Name: 3-[6-(2,3-dicarboxyphenyl)hexyl]phthalic acid Openeye Name: 3-[6-(2,3-dicarboxyphenyl)hexyl]phthalic acid CAS Name: 3-[6-(2,3-dicarboxyphenyl)hexyl]phthalic acid IUPAC Name: 3-[6-(2,3-dicarboxyphenyl)hexyl]phthalic acid Traditional Name: 3-[6-(2,3-dicarboxyphenyl)hexyl]phthalic acid Formula: C22H22O8 MolecularWeight: 414.40528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)CCCCCCC2=CC=CC(=C2C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)CCCCCCC2=CC=CC(=C2C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C22H22O8/c23-19(24)15-11-5-9-13(17(15)21(27)28)7-3-1-2-4-8-14-10-6-12-16(20(25)26)18(14)22(29)30/h5-6,9-12H,1-4,7-8H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)