4-[2-(4,5-dicarboxycyclohexa-2,4-dien-1-yl)propan-2-yl]phthalic acid

Systemtic Name: 4-[2-(4,5-dicarboxycyclohexa-2,4-dien-1-yl)propan-2-yl]phthalic acid Openeye Name: 4-[1-(4,5-dicarboxycyclohexa-2,4-dien-1-yl)-1-methyl-ethyl]phthalic acid CAS Name: 4-[2-(4,5-dicarboxy-1-cyclohexa-2,4-dienyl)propan-2-yl]phthalic acid IUPAC Name: 4-[2-(4,5-dicarboxycyclohexa-2,4-dien-1-yl)propan-2-yl]phthalic acid Traditional Name: 4-[1-(4,5-dicarboxycyclohexa-2,4-dien-1-yl)-1-methyl-ethyl]phthalic acid Formula: C19H18O8 MolecularWeight: 374.34142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CC(=C(C=C1)C(=O)O)C(=O)O)C2=CC(=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C1CC(=C(C=C1)C(=O)O)C(=O)O)C2=CC(=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C19H18O8/c1-19(2,9-3-5-11(15(20)21)13(7-9)17(24)25)10-4-6-12(16(22)23)14(8-10)18(26)27/h3-7,10H,8H2,1-2H3,(H,20,21)(H,22,23)(H,24,25)(H,26,27)