(1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonate

Systemtic Name: (1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonate Openeye Name: (1,7-dimethyl-3-oxo-indan-4-yl) 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonate CAS Name: 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonic acid (1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl) ester IUPAC Name: (1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl) 6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonate Traditional Name: 6-chloro-3-keto-4H-1,4-benzoxazine-7-sulfonic acid (3-keto-1,7-dimethyl-indan-4-yl) ester Formula: C19H16ClNO6S MolecularWeight: 421.85144

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

Isomeric SMILES

CC1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

InChI

InChI=1S/C19H16ClNO6S/c1-9-3-4-14(19-13(22)5-10(2)18(9)19)27-28(24,25)16-7-15-12(6-11(16)20)21-17(23)8-26-15/h3-4,6-7,10H,5,8H2,1-2H3,(H,21,23)