(2,2,4-trimethyl-1H-quinolin-6-yl) benzenesulfonate

Systemtic Name: (2,2,4-trimethyl-1H-quinolin-6-yl) benzenesulfonate Openeye Name: (2,2,4-trimethyl-1H-quinolin-6-yl) benzenesulfonate CAS Name: benzenesulfonic acid (2,2,4-trimethyl-1H-quinolin-6-yl) ester IUPAC Name: (2,2,4-trimethyl-1H-quinolin-6-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (2,2,4-trimethyl-1H-quinolin-6-yl) ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(NC2=C1C=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)(C)C

Isomeric SMILES

CC1=CC(NC2=C1C=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)(C)C

InChI

InChI=1S/C18H19NO3S/c1-13-12-18(2,3)19-17-10-9-14(11-16(13)17)22-23(20,21)15-7-5-4-6-8-15/h4-12,19H,1-3H3