(7-chloranylquinolin-4-yl) 2,4,6-trimethylbenzenesulfonate

Systemtic Name: (7-chloranylquinolin-4-yl) 2,4,6-trimethylbenzenesulfonate Openeye Name: (7-chloro-4-quinolyl) 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid (7-chloro-4-quinolinyl) ester IUPAC Name: (7-chloroquinolin-4-yl) 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid (7-chloro-4-quinolyl) ester Formula: C18H16ClNO3S MolecularWeight: 361.84254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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