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

Systemtic Name: (4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonate Openeye Name: (4-chloro-2-isopropyl-5-methyl-phenyl) 3-oxo-4H-1,4-benzoxazine-6-sulfonate CAS Name: 3-oxo-4H-1,4-benzoxazine-6-sulfonic acid (4-chloro-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-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 (4-chloro-2-isopropyl-5-methyl-phenyl) ester Formula: C18H18ClNO5S MolecularWeight: 395.85722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

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