(4-octoxyquinolin-8-yl) 4-methylbenzenesulfonate

Systemtic Name: (4-octoxyquinolin-8-yl) 4-methylbenzenesulfonate Openeye Name: (4-octoxy-8-quinolyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-octoxy-8-quinolinyl) ester IUPAC Name: (4-octoxyquinolin-8-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-octoxy-8-quinolyl) ester Formula: C24H29NO4S MolecularWeight: 427.55636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C2C=CC=C(C2=NC=C1)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCOC1=C2C=CC=C(C2=NC=C1)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H29NO4S/c1-3-4-5-6-7-8-18-28-22-16-17-25-24-21(22)10-9-11-23(24)29-30(26,27)20-14-12-19(2)13-15-20/h9-17H,3-8,18H2,1-2H3