4-(4,5-dicarboxy-2-propyl-phenyl)-5-propyl-phthalic acid

Systemtic Name: 4-(4,5-dicarboxy-2-propyl-phenyl)-5-propyl-phthalic acid Openeye Name: 4-(4,5-dicarboxy-2-propyl-phenyl)-5-propyl-phthalic acid CAS Name: 4-(4,5-dicarboxy-2-propylphenyl)-5-propylphthalic acid IUPAC Name: 4-(4,5-dicarboxy-2-propylphenyl)-5-propylphthalic acid Traditional Name: 4-(4,5-dicarboxy-2-propyl-phenyl)-5-propyl-phthalic acid Formula: C22H22O8 MolecularWeight: 414.40528

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1C2=CC(=C(C=C2CCC)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCC1=CC(=C(C=C1C2=CC(=C(C=C2CCC)C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C22H22O8/c1-3-5-11-7-15(19(23)24)17(21(27)28)9-13(11)14-10-18(22(29)30)16(20(25)26)8-12(14)6-4-2/h7-10H,3-6H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)