(5-chloranylquinolin-8-yl) 2-ethoxy-5-methyl-benzenesulfonate

Systemtic Name: (5-chloranylquinolin-8-yl) 2-ethoxy-5-methyl-benzenesulfonate Openeye Name: (5-chloro-8-quinolyl) 2-ethoxy-5-methyl-benzenesulfonate CAS Name: 2-ethoxy-5-methylbenzenesulfonic acid (5-chloro-8-quinolinyl) ester IUPAC Name: (5-chloroquinolin-8-yl) 2-ethoxy-5-methylbenzenesulfonate Traditional Name: 2-ethoxy-5-methyl-benzenesulfonic acid (5-chloro-8-quinolyl) ester Formula: C18H16ClNO4S MolecularWeight: 377.84194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C)S(=O)(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C)S(=O)(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3

InChI

InChI=1S/C18H16ClNO4S/c1-3-23-15-8-6-12(2)11-17(15)25(21,22)24-16-9-7-14(19)13-5-4-10-20-18(13)16/h4-11H,3H2,1-2H3