(4-tert-butylphenyl) 6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonate

Systemtic Name: (4-tert-butylphenyl) 6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonate Openeye Name: (4-tert-butylphenyl) 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonate CAS Name: 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonate Traditional Name: 6-chloro-3-keto-4H-1,4-benzoxazine-7-sulfonic acid (4-tert-butylphenyl) ester Formula: C18H18ClNO5S MolecularWeight: 395.85722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

InChI

InChI=1S/C18H18ClNO5S/c1-18(2,3)11-4-6-12(7-5-11)25-26(22,23)16-9-15-14(8-13(16)19)20-17(21)10-24-15/h4-9H,10H2,1-3H3,(H,20,21)