prop-2-ynyl (3E)-3-[chloranylsulfanyl(prop-2-ynylsulfanyl)methylidene]-2-propyl-hexanedithioate

Systemtic Name: prop-2-ynyl (3E)-3-[chloranylsulfanyl(prop-2-ynylsulfanyl)methylidene]-2-propyl-hexanedithioate Openeye Name: prop-2-ynyl (3E)-3-[chlorosulfanyl(prop-2-ynylsulfanyl)methylene]-2-propyl-hexanedithioate CAS Name: (3E)-3-[(chlorothio)-(prop-2-ynylthio)methylidene]-2-propylhexanedithioic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl (3E)-3-[chlorosulfanyl(prop-2-ynylsulfanyl)methylidene]-2-propylhexanedithioate Traditional Name: (E)-4-(chlorothio)-4-(propargylthio)-2,3-dipropyl-but-3-enedithioic acid propargyl ester Formula: C16H21ClS4 MolecularWeight: 377.05094

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=C(SCC#C)SCl)CCC)C(=S)SCC#C

Isomeric SMILES

CCCC(/C(=C(\SCC#C)/SCl)/CCC)C(=S)SCC#C

InChI

InChI=1S/C16H21ClS4/c1-5-9-13(15(18)19-11-7-3)14(10-6-2)16(21-17)20-12-8-4/h3-4,13H,5-6,9-12H2,1-2H3/b16-14+