(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl) 2,3-bis(chloranyl)benzenesulfonate

Systemtic Name: (4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl) 2,3-bis(chloranyl)benzenesulfonate Openeye Name: (4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl) 2,3-dichlorobenzenesulfonate CAS Name: 2,3-dichlorobenzenesulfonic acid (4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl) ester IUPAC Name: (4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl) 2,3-dichlorobenzenesulfonate Traditional Name: 2,3-dichlorobenzenesulfonic acid (2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl) ester Formula: C16H13Cl2NO5S MolecularWeight: 402.24912

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)OS(=O)(=O)C3=C(C(=CC=C3)Cl)Cl)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)OS(=O)(=O)C3=C(C(=CC=C3)Cl)Cl)NC(=O)O1)C

InChI

InChI=1S/C16H13Cl2NO5S/c1-16(2)10-8-9(6-7-12(10)19-15(20)23-16)24-25(21,22)13-5-3-4-11(17)14(13)18/h3-8H,1-2H3,(H,19,20)