4-(4,5-dicarboxycyclohexa-2,4-dien-1-yl)sulfonylphthalic acid

Systemtic Name: 4-(4,5-dicarboxycyclohexa-2,4-dien-1-yl)sulfonylphthalic acid Openeye Name: 4-(4,5-dicarboxycyclohexa-2,4-dien-1-yl)sulfonylphthalic acid CAS Name: 4-[(4,5-dicarboxy-1-cyclohexa-2,4-dienyl)sulfonyl]phthalic acid IUPAC Name: 4-(4,5-dicarboxycyclohexa-2,4-dien-1-yl)sulfonylphthalic acid Traditional Name: 4-(4,5-dicarboxycyclohexa-2,4-dien-1-yl)sulfonylphthalic acid Formula: C16H12O10S MolecularWeight: 396.32548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12O10S/c17-13(18)9-3-1-7(5-11(9)15(21)22)27(25,26)8-2-4-10(14(19)20)12(6-8)16(23)24/h1-5,8H,6H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)