(4-bromanyl-2-propanoyl-phenyl) 3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonate

Systemtic Name: (4-bromanyl-2-propanoyl-phenyl) 3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonate Openeye Name: (4-bromo-2-propanoyl-phenyl) 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonate CAS Name: 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonic acid [4-bromo-2-(1-oxopropyl)phenyl] ester IUPAC Name: (4-bromo-2-propanoylphenyl) 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonate Traditional Name: 2-keto-3-methyl-1,3-benzoxazole-6-sulfonic acid (4-bromo-2-propionyl-phenyl) ester Formula: C17H14BrNO6S MolecularWeight: 440.26516

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=CC(=C1)Br)OS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C

Isomeric SMILES

CCC(=O)C1=C(C=CC(=C1)Br)OS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C

InChI

InChI=1S/C17H14BrNO6S/c1-3-14(20)12-8-10(18)4-7-15(12)25-26(22,23)11-5-6-13-16(9-11)24-17(21)19(13)2/h4-9H,3H2,1-2H3