1-methyl-3-(4-methylsulfonylbut-1-ynyl)benzene

Systemtic Name: 1-methyl-3-(4-methylsulfonylbut-1-ynyl)benzene Openeye Name: 1-methyl-3-(4-methylsulfonylbut-1-ynyl)benzene CAS Name: 1-methyl-3-(4-methylsulfonylbut-1-ynyl)benzene IUPAC Name: 1-methyl-3-(4-methylsulfonylbut-1-ynyl)benzene Traditional Name: 1-(4-mesylbut-1-ynyl)-3-methyl-benzene Formula: C12H14O2S MolecularWeight: 222.30336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C#CCCS(=O)(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C#CCCS(=O)(=O)C

InChI

InChI=1S/C12H14O2S/c1-11-6-5-8-12(10-11)7-3-4-9-15(2,13)14/h5-6,8,10H,4,9H2,1-2H3