4-(4,5-dicarboxycyclohexa-1,4-dien-1-yl)sulfanylcyclohexa-1,4-diene-1,2-dicarboxylic acid

Systemtic Name: 4-(4,5-dicarboxycyclohexa-1,4-dien-1-yl)sulfanylcyclohexa-1,4-diene-1,2-dicarboxylic acid Openeye Name: 4-(4,5-dicarboxycyclohexa-1,4-dien-1-yl)sulfanylcyclohexa-1,4-diene-1,2-dicarboxylic acid CAS Name: 4-[(4,5-dicarboxy-1-cyclohexa-1,4-dienyl)thio]cyclohexa-1,4-diene-1,2-dicarboxylic acid IUPAC Name: 4-(4,5-dicarboxycyclohexa-1,4-dien-1-yl)sulfanylcyclohexa-1,4-diene-1,2-dicarboxylic acid Traditional Name: 4-[(4,5-dicarboxycyclohexa-1,4-dien-1-yl)thio]cyclohexa-1,4-diene-1,2-dicarboxylic acid Formula: C16H14O8S MolecularWeight: 366.34256

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC(=C1C(=O)O)C(=O)O)SC2=CCC(=C(C2)C(=O)O)C(=O)O

Isomeric SMILES

C1C=C(CC(=C1C(=O)O)C(=O)O)SC2=CCC(=C(C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H14O8S/c17-13(18)9-3-1-7(5-11(9)15(21)22)25-8-2-4-10(14(19)20)12(6-8)16(23)24/h1-2H,3-6H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)