(2-methylquinolin-8-yl) 4-butoxybenzenesulfonate

Systemtic Name: (2-methylquinolin-8-yl) 4-butoxybenzenesulfonate Openeye Name: (2-methyl-8-quinolyl) 4-butoxybenzenesulfonate CAS Name: 4-butoxybenzenesulfonic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 4-butoxybenzenesulfonate Traditional Name: 4-butoxybenzenesulfonic acid (2-methyl-8-quinolyl) ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2N=C(C=C3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2N=C(C=C3)C

InChI

InChI=1S/C20H21NO4S/c1-3-4-14-24-17-10-12-18(13-11-17)26(22,23)25-19-7-5-6-16-9-8-15(2)21-20(16)19/h5-13H,3-4,14H2,1-2H3