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

Systemtic Name: (4-chloranyl-3-methyl-phenyl) 3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonate Openeye Name: (4-chloro-3-methyl-phenyl) 3-oxo-4H-1,4-benzoxazine-6-sulfonate CAS Name: 3-oxo-4H-1,4-benzoxazine-6-sulfonic acid (4-chloro-3-methylphenyl) ester IUPAC Name: (4-chloro-3-methylphenyl) 3-oxo-4H-1,4-benzoxazine-6-sulfonate Traditional Name: 3-keto-4H-1,4-benzoxazine-6-sulfonic acid (4-chloro-3-methyl-phenyl) ester Formula: C15H12ClNO5S MolecularWeight: 353.77748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClNO5S/c1-9-6-10(2-4-12(9)16)22-23(19,20)11-3-5-14-13(7-11)17-15(18)8-21-14/h2-7H,8H2,1H3,(H,17,18)