3-(phenylcarbonyl)cyclohexa-2,5-diene-1,1-disulfonic acid

Systemtic Name: 3-(phenylcarbonyl)cyclohexa-2,5-diene-1,1-disulfonic acid Openeye Name: 3-benzoylcyclohexa-2,5-diene-1,1-disulfonic acid CAS Name: 3-benzoylcyclohexa-2,5-diene-1,1-disulfonic acid IUPAC Name: 3-benzoylcyclohexa-2,5-diene-1,1-disulfonic acid Traditional Name: 3-benzoylcyclohexa-2,5-diene-1,1-disulfonic acid Formula: C13H12O7S2 MolecularWeight: 344.36018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12O7S2/c14-12(10-5-2-1-3-6-10)11-7-4-8-13(9-11,21(15,16)17)22(18,19)20/h1-6,8-9H,7H2,(H,15,16,17)(H,18,19,20)