(5-methyl-2-propan-2-yl-phenyl) 3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonate Openeye Name: (2-isopropyl-5-methyl-phenyl) 3-oxo-4H-1,4-benzoxazine-6-sulfonate CAS Name: 3-oxo-4H-1,4-benzoxazine-6-sulfonic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 3-oxo-4H-1,4-benzoxazine-6-sulfonate Traditional Name: 3-keto-4H-1,4-benzoxazine-6-sulfonic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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