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

Systemtic Name: 4-(butylsulfanylmethyl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Openeye Name: 4-(butylsulfanylmethyl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile CAS Name: 4-[(butylthio)methyl]-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile IUPAC Name: 4-(butylsulfanylmethyl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Traditional Name: 4-[(butylthio)methyl]-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Formula: C14H23NO3S MolecularWeight: 285.40232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC12OCC(CO1)(C(O2)C#N)CCC

Isomeric SMILES

CCCCSCC12OCC(CO1)(C(O2)C#N)CCC

InChI

InChI=1S/C14H23NO3S/c1-3-5-7-19-11-14-16-9-13(6-4-2,10-17-14)12(8-15)18-14/h12H,3-7,9-11H2,1-2H3