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

Systemtic Name: (2-methoxy-4-methyl-phenyl) 6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonate Openeye Name: (2-methoxy-4-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 (2-methoxy-4-methylphenyl) ester IUPAC Name: (2-methoxy-4-methylphenyl) 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonate Traditional Name: 6-chloro-3-keto-4H-1,4-benzoxazine-7-sulfonic acid (2-methoxy-4-methyl-phenyl) ester Formula: C16H14ClNO6S MolecularWeight: 383.80346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClNO6S/c1-9-3-4-12(14(5-9)22-2)24-25(20,21)15-7-13-11(6-10(15)17)18-16(19)8-23-13/h3-7H,8H2,1-2H3,(H,18,19)