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

Systemtic Name: (5-chloranylquinolin-8-yl) 2-oxidanylidene-3,4-dihydrochromene-6-sulfonate Openeye Name: (5-chloro-8-quinolyl) 2-oxochromane-6-sulfonate CAS Name: 2-oxo-3,4-dihydro-2H-1-benzopyran-6-sulfonic acid (5-chloro-8-quinolinyl) ester IUPAC Name: (5-chloroquinolin-8-yl) 2-oxo-3,4-dihydrochromene-6-sulfonate Traditional Name: 2-ketochroman-6-sulfonic acid (5-chloro-8-quinolyl) ester Formula: C18H12ClNO5S MolecularWeight: 389.80958

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)OC2=C1C=C(C=C2)S(=O)(=O)OC3=C4C(=C(C=C3)Cl)C=CC=N4

Isomeric SMILES

C1CC(=O)OC2=C1C=C(C=C2)S(=O)(=O)OC3=C4C(=C(C=C3)Cl)C=CC=N4

InChI

InChI=1S/C18H12ClNO5S/c19-14-5-7-16(18-13(14)2-1-9-20-18)25-26(22,23)12-4-6-15-11(10-12)3-8-17(21)24-15/h1-2,4-7,9-10H,3,8H2