3-(phenylsulfonyl)cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid

Systemtic Name: 3-(phenylsulfonyl)cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid Openeye Name: 3-(benzenesulfonyl)cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid CAS Name: 3-(benzenesulfonyl)cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid IUPAC Name: 3-(benzenesulfonyl)cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid Traditional Name: 3-besylcyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid Formula: C16H12O10S MolecularWeight: 396.32548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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