1-(phenylcarbonyl)cyclohexa-2,4-diene-1-sulfonate

Systemtic Name: 1-(phenylcarbonyl)cyclohexa-2,4-diene-1-sulfonate Openeye Name: 1-benzoylcyclohexa-2,4-diene-1-sulfonate CAS Name: 1-benzoyl-1-cyclohexa-2,4-dienesulfonate IUPAC Name: 1-benzoylcyclohexa-2,4-diene-1-sulfonate Traditional Name: 1-benzoylcyclohexa-2,4-diene-1-sulfonate Formula: C13H11O4S- MolecularWeight: 263.28904

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC1(C(=O)C2=CC=CC=C2)S(=O)(=O)[O-]

Isomeric SMILES

C1C=CC=CC1(C(=O)C2=CC=CC=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C13H12O4S/c14-12(11-7-3-1-4-8-11)13(18(15,16)17)9-5-2-6-10-13/h1-9H,10H2,(H,15,16,17)/p-1