(5-chloranylquinolin-8-yl) 2,4,5-trimethylbenzenesulfonate

Systemtic Name: (5-chloranylquinolin-8-yl) 2,4,5-trimethylbenzenesulfonate Openeye Name: (5-chloro-8-quinolyl) 2,4,5-trimethylbenzenesulfonate CAS Name: 2,4,5-trimethylbenzenesulfonic acid (5-chloro-8-quinolinyl) ester IUPAC Name: (5-chloroquinolin-8-yl) 2,4,5-trimethylbenzenesulfonate Traditional Name: 2,4,5-trimethylbenzenesulfonic acid (5-chloro-8-quinolyl) ester Formula: C18H16ClNO3S MolecularWeight: 361.84254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3)C

InChI

InChI=1S/C18H16ClNO3S/c1-11-9-13(3)17(10-12(11)2)24(21,22)23-16-7-6-15(19)14-5-4-8-20-18(14)16/h4-10H,1-3H3