S-(1-phenylsulfanylnon-5-ynyl) ethanethioate

Systemtic Name: S-(1-phenylsulfanylnon-5-ynyl) ethanethioate Openeye Name: S-(1-phenylsulfanylnon-5-ynyl) ethanethioate CAS Name: ethanethioic acid S-[1-(phenylthio)non-5-ynyl] ester IUPAC Name: S-(1-phenylsulfanylnon-5-ynyl) ethanethioate Traditional Name: ethanethioic acid S-[1-(phenylthio)non-5-ynyl] ester Formula: C17H22OS2 MolecularWeight: 306.48598

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCCC(SC1=CC=CC=C1)SC(=O)C

Isomeric SMILES

CCCC#CCCCC(SC1=CC=CC=C1)SC(=O)C

InChI

InChI=1S/C17H22OS2/c1-3-4-5-6-7-11-14-17(19-15(2)18)20-16-12-9-8-10-13-16/h8-10,12-13,17H,3-4,7,11,14H2,1-2H3