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

Systemtic Name: (3,5-dimethylphenyl) 3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonate Openeye Name: (3,5-dimethylphenyl) 3-oxo-4H-1,4-benzoxazine-6-sulfonate CAS Name: 3-oxo-4H-1,4-benzoxazine-6-sulfonic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 3-oxo-4H-1,4-benzoxazine-6-sulfonate Traditional Name: 3-keto-4H-1,4-benzoxazine-6-sulfonic acid (3,5-dimethylphenyl) ester Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO5S/c1-10-5-11(2)7-12(6-10)22-23(19,20)13-3-4-15-14(8-13)17-16(18)9-21-15/h3-8H,9H2,1-2H3,(H,17,18)