[4-(phenylcarbonyl)phenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate

Systemtic Name: [4-(phenylcarbonyl)phenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Openeye Name: (4-benzoylphenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid (4-benzoylphenyl) ester IUPAC Name: (4-benzoylphenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid (4-benzoylphenyl) ester Formula: C22H18O6S MolecularWeight: 410.43972

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)OC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)OC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)OC1

InChI

InChI=1S/C22H18O6S/c23-22(16-5-2-1-3-6-16)17-7-9-18(10-8-17)28-29(24,25)19-11-12-20-21(15-19)27-14-4-13-26-20/h1-3,5-12,15H,4,13-14H2