[3-[6-(2-oxidanylpropan-2-yl)quinolin-8-yl]phenyl] benzenesulfonate

Systemtic Name: [3-[6-(2-oxidanylpropan-2-yl)quinolin-8-yl]phenyl] benzenesulfonate Openeye Name: [3-[6-(1-hydroxy-1-methyl-ethyl)-8-quinolyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[6-(2-hydroxypropan-2-yl)-8-quinolinyl]phenyl] ester IUPAC Name: [3-[6-(2-hydroxypropan-2-yl)quinolin-8-yl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[6-(1-hydroxy-1-methyl-ethyl)-8-quinolyl]phenyl] ester Formula: C24H21NO4S MolecularWeight: 419.49284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)OS(=O)(=O)C4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)OS(=O)(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C24H21NO4S/c1-24(2,26)19-14-18-9-7-13-25-23(18)22(16-19)17-8-6-10-20(15-17)29-30(27,28)21-11-4-3-5-12-21/h3-16,26H,1-2H3