5-(3,3-dicarboxycyclohexa-1,4-dien-1-yl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(3,3-dicarboxycyclohexa-1,4-dien-1-yl)benzene-1,3-dicarboxylic acid Openeye Name: 5-(3,3-dicarboxycyclohexa-1,4-dien-1-yl)benzene-1,3-dicarboxylic acid CAS Name: 5-(3,3-dicarboxy-1-cyclohexa-1,4-dienyl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(3,3-dicarboxycyclohexa-1,4-dien-1-yl)benzene-1,3-dicarboxylic acid Traditional Name: 5-(3,3-dicarboxycyclohexa-1,4-dien-1-yl)isophthalic acid Formula: C16H12O8 MolecularWeight: 332.26168

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(C=C1C2=CC(=CC(=C2)C(=O)O)C(=O)O)(C(=O)O)C(=O)O

Isomeric SMILES

C1C=CC(C=C1C2=CC(=CC(=C2)C(=O)O)C(=O)O)(C(=O)O)C(=O)O

InChI

InChI=1S/C16H12O8/c17-12(18)10-4-9(5-11(6-10)13(19)20)8-2-1-3-16(7-8,14(21)22)15(23)24/h1,3-7H,2H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)