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

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonate Openeye Name: (2-bromo-4-methyl-phenyl) 3-oxo-4H-1,4-benzoxazine-6-sulfonate CAS Name: 3-oxo-4H-1,4-benzoxazine-6-sulfonic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 3-oxo-4H-1,4-benzoxazine-6-sulfonate Traditional Name: 3-keto-4H-1,4-benzoxazine-6-sulfonic acid (2-bromo-4-methyl-phenyl) ester Formula: C15H12BrNO5S MolecularWeight: 398.22848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3)Br

InChI

InChI=1S/C15H12BrNO5S/c1-9-2-4-13(11(16)6-9)22-23(19,20)10-3-5-14-12(7-10)17-15(18)8-21-14/h2-7H,8H2,1H3,(H,17,18)