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

Systemtic Name: (2,2,4-trimethyl-1H-quinolin-6-yl) 4-methylbenzenesulfonate Openeye Name: (2,2,4-trimethyl-1H-quinolin-6-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,2,4-trimethyl-1H-quinolin-6-yl) ester IUPAC Name: (2,2,4-trimethyl-1H-quinolin-6-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,2,4-trimethyl-1H-quinolin-6-yl) ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)NC(C=C3C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)NC(C=C3C)(C)C

InChI

InChI=1S/C19H21NO3S/c1-13-5-8-16(9-6-13)24(21,22)23-15-7-10-18-17(11-15)14(2)12-19(3,4)20-18/h5-12,20H,1-4H3