2-(5-ethylundecan-4-yl)benzenecarbonitrile

Systemtic Name: 2-(5-ethylundecan-4-yl)benzenecarbonitrile Openeye Name: 2-(2-ethyl-1-propyl-octyl)benzonitrile CAS Name: 2-(5-ethylundecan-4-yl)benzonitrile IUPAC Name: 2-(5-ethylundecan-4-yl)benzonitrile Traditional Name: 2-(2-ethyl-1-propyl-octyl)benzonitrile Formula: C20H31N MolecularWeight: 285.46684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC)C(CCC)C1=CC=CC=C1C#N

Isomeric SMILES

CCCCCCC(CC)C(CCC)C1=CC=CC=C1C#N

InChI

InChI=1S/C20H31N/c1-4-7-8-9-13-17(6-3)19(12-5-2)20-15-11-10-14-18(20)16-21/h10-11,14-15,17,19H,4-9,12-13H2,1-3H3