[3-[2-(6-methylpyridin-2-yl)ethynyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[2-(6-methylpyridin-2-yl)ethynyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-[2-(6-methyl-2-pyridyl)ethynyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[2-(6-methyl-2-pyridinyl)ethynyl]phenyl] ester IUPAC Name: [3-[2-(6-methylpyridin-2-yl)ethynyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[2-(6-methyl-2-pyridyl)ethynyl]phenyl] ester Formula: C21H17NO3S MolecularWeight: 363.42958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C#CC3=NC(=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C#CC3=NC(=CC=C3)C

InChI

InChI=1S/C21H17NO3S/c1-16-9-13-21(14-10-16)26(23,24)25-20-8-4-6-18(15-20)11-12-19-7-3-5-17(2)22-19/h3-10,13-15H,1-2H3