(4-propan-2-ylphenyl) 3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonate

Systemtic Name: (4-propan-2-ylphenyl) 3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonate Openeye Name: (4-isopropylphenyl) 3-oxo-4H-1,4-benzoxazine-6-sulfonate CAS Name: 3-oxo-4H-1,4-benzoxazine-6-sulfonic acid (4-propan-2-ylphenyl) ester IUPAC Name: (4-propan-2-ylphenyl) 3-oxo-4H-1,4-benzoxazine-6-sulfonate Traditional Name: 3-keto-4H-1,4-benzoxazine-6-sulfonic acid p-cumenyl ester Formula: C17H17NO5S MolecularWeight: 347.38558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO5S/c1-11(2)12-3-5-13(6-4-12)23-24(20,21)14-7-8-16-15(9-14)18-17(19)10-22-16/h3-9,11H,10H2,1-2H3,(H,18,19)