(4-ethanoylphenyl) 6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonate

Systemtic Name: (4-ethanoylphenyl) 6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonate Openeye Name: (4-acetylphenyl) 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonate CAS Name: 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonate Traditional Name: 6-chloro-3-keto-4H-1,4-benzoxazine-7-sulfonic acid (4-acetylphenyl) ester Formula: C16H12ClNO6S MolecularWeight: 381.78758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

InChI

InChI=1S/C16H12ClNO6S/c1-9(19)10-2-4-11(5-3-10)24-25(21,22)15-7-14-13(6-12(15)17)18-16(20)8-23-14/h2-7H,8H2,1H3,(H,18,20)