4-phenylsulfanylcyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid

Systemtic Name: 4-phenylsulfanylcyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid Openeye Name: 4-phenylsulfanylcyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid CAS Name: 4-(phenylthio)cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid IUPAC Name: 4-phenylsulfanylcyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid Traditional Name: 4-(phenylthio)cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid Formula: C16H12O8S MolecularWeight: 364.32668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC(C(C=C2)(C(=O)O)C(=O)O)(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC(C(C=C2)(C(=O)O)C(=O)O)(C(=O)O)C(=O)O

InChI

InChI=1S/C16H12O8S/c17-11(18)15(12(19)20)7-6-10(25-9-4-2-1-3-5-9)8-16(15,13(21)22)14(23)24/h1-8H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)