quinolin-8-yl 3,4-dimethylbenzenesulfonate

Systemtic Name: quinolin-8-yl 3,4-dimethylbenzenesulfonate Openeye Name: 8-quinolyl 3,4-dimethylbenzenesulfonate CAS Name: 3,4-dimethylbenzenesulfonic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl 3,4-dimethylbenzenesulfonate Traditional Name: 3,4-dimethylbenzenesulfonic acid 8-quinolyl ester Formula: C17H15NO3S MolecularWeight: 313.3709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO3S/c1-12-8-9-15(11-13(12)2)22(19,20)21-16-7-3-5-14-6-4-10-18-17(14)16/h3-11H,1-2H3