quinolin-8-yl 2,4,5-trimethylbenzenesulfonate

Systemtic Name: quinolin-8-yl 2,4,5-trimethylbenzenesulfonate Openeye Name: 8-quinolyl 2,4,5-trimethylbenzenesulfonate CAS Name: 2,4,5-trimethylbenzenesulfonic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl 2,4,5-trimethylbenzenesulfonate Traditional Name: 2,4,5-trimethylbenzenesulfonic acid 8-quinolyl ester Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)OC2=CC=CC3=C2N=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)OC2=CC=CC3=C2N=CC=C3)C

InChI

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