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4-(4,5-dicarboxy-5-phenyl-cyclohexa-1,3-dien-1-yl)phthalic acid

4-(4,5-dicarboxy-5-phenyl-cyclohexa-1,3-dien-1-yl)phthalic acid

Systemtic Name:4-(4,5-dicarboxy-5-phenyl-cyclohexa-1,3-dien-1-yl)phthalic acid
Openeye Name:4-(4,5-dicarboxy-5-phenyl-cyclohexa-1,3-dien-1-yl)phthalic acid
CAS Name:4-(4,5-dicarboxy-5-phenyl-1-cyclohexa-1,3-dienyl)phthalic acid
IUPAC Name:4-(4,5-dicarboxy-5-phenylcyclohexa-1,3-dien-1-yl)phthalic acid
Traditional Name:4-(4,5-dicarboxy-5-phenyl-cyclohexa-1,3-dien-1-yl)phthalic acid
Formula: C22H16O8
MolecularWeight: 408.35764
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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC=C(C1(C2=CC=CC=C2)C(=O)O)C(=O)O)C3=CC(=C(C=C3)C(=O)O)C(=O)O


Isomeric SMILES

C1C(=CC=C(C1(C2=CC=CC=C2)C(=O)O)C(=O)O)C3=CC(=C(C=C3)C(=O)O)C(=O)O


InChI

InChI=1S/C22H16O8/c23-18(24)15-8-6-12(10-16(15)19(25)26)13-7-9-17(20(27)28)22(11-13,21(29)30)14-4-2-1-3-5-14/h1-10H,11H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)


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