[5,7-bis(chloranyl)quinolin-8-yl] 4-butoxybenzenesulfonate

Systemtic Name: [5,7-bis(chloranyl)quinolin-8-yl] 4-butoxybenzenesulfonate Openeye Name: (5,7-dichloro-8-quinolyl) 4-butoxybenzenesulfonate CAS Name: 4-butoxybenzenesulfonic acid (5,7-dichloro-8-quinolinyl) ester IUPAC Name: (5,7-dichloroquinolin-8-yl) 4-butoxybenzenesulfonate Traditional Name: 4-butoxybenzenesulfonic acid (5,7-dichloro-8-quinolyl) ester Formula: C19H17Cl2NO4S MolecularWeight: 426.31358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Cl)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Cl)Cl

InChI

InChI=1S/C19H17Cl2NO4S/c1-2-3-11-25-13-6-8-14(9-7-13)27(23,24)26-19-17(21)12-16(20)15-5-4-10-22-18(15)19/h4-10,12H,2-3,11H2,1H3