(2-methylquinolin-8-yl) 3,4-dimethylbenzenesulfonate

Systemtic Name: (2-methylquinolin-8-yl) 3,4-dimethylbenzenesulfonate Openeye Name: (2-methyl-8-quinolyl) 3,4-dimethylbenzenesulfonate CAS Name: 3,4-dimethylbenzenesulfonic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 3,4-dimethylbenzenesulfonate Traditional Name: 3,4-dimethylbenzenesulfonic acid (2-methyl-8-quinolyl) ester Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2N=C(C=C3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2N=C(C=C3)C)C

InChI

InChI=1S/C18H17NO3S/c1-12-7-10-16(11-13(12)2)23(20,21)22-17-6-4-5-15-9-8-14(3)19-18(15)17/h4-11H,1-3H3