3-(5,5-dicarboxycyclohexa-1,3-dien-1-yl)carbonylphthalic acid

Systemtic Name: 3-(5,5-dicarboxycyclohexa-1,3-dien-1-yl)carbonylphthalic acid Openeye Name: 3-(5,5-dicarboxycyclohexa-1,3-diene-1-carbonyl)phthalic acid CAS Name: 3-[(5,5-dicarboxy-1-cyclohexa-1,3-dienyl)-oxomethyl]phthalic acid IUPAC Name: 3-(5,5-dicarboxycyclohexa-1,3-diene-1-carbonyl)phthalic acid Traditional Name: 3-(5,5-dicarboxycyclohexa-1,3-diene-1-carbonyl)phthalic acid Formula: C17H12O9 MolecularWeight: 360.27178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC=CC1(C(=O)O)C(=O)O)C(=O)C2=C(C(=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1C(=CC=CC1(C(=O)O)C(=O)O)C(=O)C2=C(C(=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C17H12O9/c18-12(8-3-2-6-17(7-8,15(23)24)16(25)26)9-4-1-5-10(13(19)20)11(9)14(21)22/h1-6H,7H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)