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3-[(5-octyl-1,3-dithiol-3-ium-4-yl)sulfanyl]propanenitrile

3-[(5-octyl-1,3-dithiol-3-ium-4-yl)sulfanyl]propanenitrile

Systemtic Name:3-[(5-octyl-1,3-dithiol-3-ium-4-yl)sulfanyl]propanenitrile
Openeye Name:3-[(5-octyl-1,3-dithiol-3-ium-4-yl)sulfanyl]propanenitrile
CAS Name:3-[(5-octyl-1,3-dithiol-3-ium-4-yl)thio]propanenitrile
IUPAC Name:3-[(5-octyl-1,3-dithiol-3-ium-4-yl)sulfanyl]propanenitrile
Traditional Name:3-[(5-octyl-1,3-dithiol-3-ium-4-yl)thio]propionitrile
Formula: C14H22NS3+
MolecularWeight: 300.52618
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C([S+]=CS1)SCCC#N


Isomeric SMILES

CCCCCCCCC1=C([S+]=CS1)SCCC#N


InChI

InChI=1S/C14H22NS3/c1-2-3-4-5-6-7-9-13-14(18-12-17-13)16-11-8-10-15/h12H,2-9,11H2,1H3/q+1


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