(2-methylquinolin-8-yl) 2-oxidanylidene-3,4-dihydrochromene-6-sulfonate

Systemtic Name: (2-methylquinolin-8-yl) 2-oxidanylidene-3,4-dihydrochromene-6-sulfonate Openeye Name: (2-methyl-8-quinolyl) 2-oxochromane-6-sulfonate CAS Name: 2-oxo-3,4-dihydro-2H-1-benzopyran-6-sulfonic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 2-oxo-3,4-dihydrochromene-6-sulfonate Traditional Name: 2-ketochroman-6-sulfonic acid (2-methyl-8-quinolyl) ester Formula: C19H15NO5S MolecularWeight: 369.3911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OS(=O)(=O)C3=CC4=C(C=C3)OC(=O)CC4)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OS(=O)(=O)C3=CC4=C(C=C3)OC(=O)CC4)C=C1

InChI

InChI=1S/C19H15NO5S/c1-12-5-6-13-3-2-4-17(19(13)20-12)25-26(22,23)15-8-9-16-14(11-15)7-10-18(21)24-16/h2-6,8-9,11H,7,10H2,1H3