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

Systemtic Name: 4-(4,5-dicarboxy-2-ethyl-phenyl)-5-ethyl-phthalic acid Openeye Name: 4-(4,5-dicarboxy-2-ethyl-phenyl)-5-ethyl-phthalic acid CAS Name: 4-(4,5-dicarboxy-2-ethylphenyl)-5-ethylphthalic acid IUPAC Name: 4-(4,5-dicarboxy-2-ethylphenyl)-5-ethylphthalic acid Traditional Name: 4-(4,5-dicarboxy-2-ethyl-phenyl)-5-ethyl-phthalic acid Formula: C20H18O8 MolecularWeight: 386.35212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C2=CC(=C(C=C2CC)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCC1=CC(=C(C=C1C2=CC(=C(C=C2CC)C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C20H18O8/c1-3-9-5-13(17(21)22)15(19(25)26)7-11(9)12-8-16(20(27)28)14(18(23)24)6-10(12)4-2/h5-8H,3-4H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)(H,27,28)