(2-bromanyl-4-methyl-phenyl) 6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonate

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonate Openeye Name: (2-bromo-4-methyl-phenyl) 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonate CAS Name: 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonate Traditional Name: 6-chloro-3-keto-4H-1,4-benzoxazine-7-sulfonic acid (2-bromo-4-methyl-phenyl) ester Formula: C15H11BrClNO5S MolecularWeight: 432.67354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl)Br

InChI

InChI=1S/C15H11BrClNO5S/c1-8-2-3-12(9(16)4-8)23-24(20,21)14-6-13-11(5-10(14)17)18-15(19)7-22-13/h2-6H,7H2,1H3,(H,18,19)