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

Systemtic Name: (2-butan-2-ylphenyl) 3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonate Openeye Name: (2-sec-butylphenyl) 3-oxo-4H-1,4-benzoxazine-6-sulfonate CAS Name: 3-oxo-4H-1,4-benzoxazine-6-sulfonic acid (2-butan-2-ylphenyl) ester IUPAC Name: (2-butan-2-ylphenyl) 3-oxo-4H-1,4-benzoxazine-6-sulfonate Traditional Name: 3-keto-4H-1,4-benzoxazine-6-sulfonic acid (2-sec-butylphenyl) ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CCC(C)C1=CC=CC=C1OS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C18H19NO5S/c1-3-12(2)14-6-4-5-7-16(14)24-25(21,22)13-8-9-17-15(10-13)19-18(20)11-23-17/h4-10,12H,3,11H2,1-2H3,(H,19,20)