(4-bromanyl-2-ethanoyl-phenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate

Systemtic Name: (4-bromanyl-2-ethanoyl-phenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate Openeye Name: (2-acetyl-4-bromo-phenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid (2-acetyl-4-bromophenyl) ester IUPAC Name: (2-acetyl-4-bromophenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid (2-acetyl-4-bromo-phenyl) ester Formula: C16H13BrO6S MolecularWeight: 413.23982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)Br)OS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)Br)OS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H13BrO6S/c1-10(18)13-8-11(17)2-4-14(13)23-24(19,20)12-3-5-15-16(9-12)22-7-6-21-15/h2-5,8-9H,6-7H2,1H3