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

Systemtic Name: (4-chloranyl-3-methyl-phenyl) 6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonate Openeye Name: (4-chloro-3-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 (4-chloro-3-methylphenyl) ester IUPAC Name: (4-chloro-3-methylphenyl) 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonate Traditional Name: 6-chloro-3-keto-4H-1,4-benzoxazine-7-sulfonic acid (4-chloro-3-methyl-phenyl) ester Formula: C15H11Cl2NO5S MolecularWeight: 388.22254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11Cl2NO5S/c1-8-4-9(2-3-10(8)16)23-24(20,21)14-6-13-12(5-11(14)17)18-15(19)7-22-13/h2-6H,7H2,1H3,(H,18,19)