6-methylhept-5-en-1-yn-3-ylsulfanylbenzene

Systemtic Name: 6-methylhept-5-en-1-yn-3-ylsulfanylbenzene Openeye Name: (1-ethynyl-4-methyl-pent-3-enyl)sulfanylbenzene CAS Name: (6-methylhept-5-en-1-yn-3-ylthio)benzene IUPAC Name: 6-methylhept-5-en-1-yn-3-ylsulfanylbenzene Traditional Name: [(1-ethynyl-4-methyl-pent-3-enyl)thio]benzene Formula: C14H16S MolecularWeight: 216.34184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(C#C)SC1=CC=CC=C1)C

Isomeric SMILES

CC(=CCC(C#C)SC1=CC=CC=C1)C

InChI

InChI=1S/C14H16S/c1-4-13(11-10-12(2)3)15-14-8-6-5-7-9-14/h1,5-10,13H,11H2,2-3H3