[(E)-3-methyl-4-methylsulfonyl-but-3-en-1-ynyl]benzene

Systemtic Name: [(E)-3-methyl-4-methylsulfonyl-but-3-en-1-ynyl]benzene Openeye Name: [(E)-3-methyl-4-methylsulfonyl-but-3-en-1-ynyl]benzene CAS Name: [(E)-3-methyl-4-methylsulfonylbut-3-en-1-ynyl]benzene IUPAC Name: [(E)-3-methyl-4-methylsulfonylbut-3-en-1-ynyl]benzene Traditional Name: [(E)-4-mesyl-3-methyl-but-3-en-1-ynyl]benzene Formula: C12H12O2S MolecularWeight: 220.28748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C\S(=O)(=O)C)/C#CC1=CC=CC=C1

InChI

InChI=1S/C12H12O2S/c1-11(10-15(2,13)14)8-9-12-6-4-3-5-7-12/h3-7,10H,1-2H3/b11-10+