(2-methylquinolin-4-yl) 2,4,5-trimethylbenzenesulfonate

Systemtic Name: (2-methylquinolin-4-yl) 2,4,5-trimethylbenzenesulfonate Openeye Name: (2-methyl-4-quinolyl) 2,4,5-trimethylbenzenesulfonate CAS Name: 2,4,5-trimethylbenzenesulfonic acid (2-methyl-4-quinolinyl) ester IUPAC Name: (2-methylquinolin-4-yl) 2,4,5-trimethylbenzenesulfonate Traditional Name: 2,4,5-trimethylbenzenesulfonic acid (2-methyl-4-quinolyl) ester Formula: C19H19NO3S MolecularWeight: 341.42406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)OC2=CC(=NC3=CC=CC=C32)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)OC2=CC(=NC3=CC=CC=C32)C)C

InChI

InChI=1S/C19H19NO3S/c1-12-9-14(3)19(10-13(12)2)24(21,22)23-18-11-15(4)20-17-8-6-5-7-16(17)18/h5-11H,1-4H3