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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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