3-[3,3-bis(2-cyanoethyl)-2-oxidanylidene-cyclododecyl]propanenitrile

Systemtic Name: 3-[3,3-bis(2-cyanoethyl)-2-oxidanylidene-cyclododecyl]propanenitrile Openeye Name: 3-[3,3-bis(2-cyanoethyl)-2-oxo-cyclododecyl]propanenitrile CAS Name: 3-[3,3-bis(2-cyanoethyl)-2-oxocyclododecyl]propanenitrile IUPAC Name: 3-[3,3-bis(2-cyanoethyl)-2-oxocyclododecyl]propanenitrile Traditional Name: 3-[3,3-bis(2-cyanoethyl)-2-keto-cyclododecyl]propionitrile Formula: C21H31N3O MolecularWeight: 341.49034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCC(C(=O)C(CCCC1)(CCC#N)CCC#N)CCC#N

Isomeric SMILES

C1CCCCC(C(=O)C(CCCC1)(CCC#N)CCC#N)CCC#N

InChI

InChI=1S/C21H31N3O/c22-16-8-12-19-11-6-4-2-1-3-5-7-13-21(20(19)25,14-9-17-23)15-10-18-24/h19H,1-15H2