1-propyl-4-(2-prop-2-ynylsulfanylethyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile

Systemtic Name: 1-propyl-4-(2-prop-2-ynylsulfanylethyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Openeye Name: 1-propyl-4-(2-prop-2-ynylsulfanylethyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile CAS Name: 1-propyl-4-[2-(prop-2-ynylthio)ethyl]-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile IUPAC Name: 1-propyl-4-(2-prop-2-ynylsulfanylethyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Traditional Name: 4-[2-(propargylthio)ethyl]-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12COC(OC1)(OC2C#N)CCSCC#C

Isomeric SMILES

CCCC12COC(OC1)(OC2C#N)CCSCC#C

InChI

InChI=1S/C14H19NO3S/c1-3-5-13-10-16-14(17-11-13,18-12(13)9-15)6-8-19-7-4-2/h2,12H,3,5-8,10-11H2,1H3