hept-4-ynylsulfanylbenzene

Systemtic Name: hept-4-ynylsulfanylbenzene Openeye Name: hept-4-ynylsulfanylbenzene CAS Name: (hept-4-ynylthio)benzene IUPAC Name: hept-4-ynylsulfanylbenzene Traditional Name: (hept-4-ynylthio)benzene Formula: C13H16S MolecularWeight: 204.33114

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCCCSC1=CC=CC=C1

Isomeric SMILES

CCC#CCCCSC1=CC=CC=C1

InChI

InChI=1S/C13H16S/c1-2-3-4-5-9-12-14-13-10-7-6-8-11-13/h6-8,10-11H,2,5,9,12H2,1H3