2-hexylsulfanylbut-3-yn-2-ylbenzene

Systemtic Name: 2-hexylsulfanylbut-3-yn-2-ylbenzene Openeye Name: (1-hexylsulfanyl-1-methyl-prop-2-ynyl)benzene CAS Name: 2-(hexylthio)but-3-yn-2-ylbenzene IUPAC Name: 2-hexylsulfanylbut-3-yn-2-ylbenzene Traditional Name: [1-(hexylthio)-1-methyl-prop-2-ynyl]benzene Formula: C16H22S MolecularWeight: 246.41088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(C)(C#C)C1=CC=CC=C1

Isomeric SMILES

CCCCCCSC(C)(C#C)C1=CC=CC=C1

InChI

InChI=1S/C16H22S/c1-4-6-7-11-14-17-16(3,5-2)15-12-9-8-10-13-15/h2,8-10,12-13H,4,6-7,11,14H2,1,3H3