[5-methoxy-2-(phenylcarbonyl)phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate

Systemtic Name: [5-methoxy-2-(phenylcarbonyl)phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate Openeye Name: (2-benzoyl-5-methoxy-phenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid (2-benzoyl-5-methoxyphenyl) ester IUPAC Name: (2-benzoyl-5-methoxyphenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid (2-benzoyl-5-methoxy-phenyl) ester Formula: C22H18O7S MolecularWeight: 426.43912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)OS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)OS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H18O7S/c1-26-16-7-9-18(22(23)15-5-3-2-4-6-15)20(13-16)29-30(24,25)17-8-10-19-21(14-17)28-12-11-27-19/h2-10,13-14H,11-12H2,1H3