(1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonate

Systemtic Name: (1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonate Openeye Name: (1,7-dimethyl-3-oxo-indan-4-yl) 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonate CAS Name: 3-methyl-2-oxo-1,3-benzoxazole-6-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) 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonate Traditional Name: 2-keto-3-methyl-1,3-benzoxazole-6-sulfonic acid (3-keto-1,7-dimethyl-indan-4-yl) ester Formula: C19H17NO6S MolecularWeight: 387.40638

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=CC4=C(C=C3)N(C(=O)O4)C

Isomeric SMILES

CC1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=CC4=C(C=C3)N(C(=O)O4)C

InChI

InChI=1S/C19H17NO6S/c1-10-4-7-15(18-14(21)8-11(2)17(10)18)26-27(23,24)12-5-6-13-16(9-12)25-19(22)20(13)3/h4-7,9,11H,8H2,1-3H3