(2-acetamidophenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate

Systemtic Name: (2-acetamidophenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate Openeye Name: (2-acetamidophenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid (2-acetamidophenyl) ester IUPAC Name: (2-acetamidophenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid (2-acetamidophenyl) ester Formula: C16H15NO6S MolecularWeight: 349.3584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1OS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(=O)NC1=CC=CC=C1OS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H15NO6S/c1-11(18)17-13-4-2-3-5-14(13)23-24(19,20)12-6-7-15-16(10-12)22-9-8-21-15/h2-7,10H,8-9H2,1H3,(H,17,18)