(3,5-dimethylphenyl) 6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonate

Systemtic Name: (3,5-dimethylphenyl) 6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonate Openeye Name: (3,5-dimethylphenyl) 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonate CAS Name: 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonate Traditional Name: 6-chloro-3-keto-4H-1,4-benzoxazine-7-sulfonic acid (3,5-dimethylphenyl) ester Formula: C16H14ClNO5S MolecularWeight: 367.80406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClNO5S/c1-9-3-10(2)5-11(4-9)23-24(20,21)15-7-14-13(6-12(15)17)18-16(19)8-22-14/h3-7H,8H2,1-2H3,(H,18,19)