5-(2,3-dimethylbutan-2-yl)-2-ethyl-benzenecarbonitrile

Systemtic Name: 5-(2,3-dimethylbutan-2-yl)-2-ethyl-benzenecarbonitrile Openeye Name: 2-ethyl-5-(1,1,2-trimethylpropyl)benzonitrile CAS Name: 5-(2,3-dimethylbutan-2-yl)-2-ethylbenzonitrile IUPAC Name: 5-(2,3-dimethylbutan-2-yl)-2-ethylbenzonitrile Traditional Name: 2-ethyl-5-thexyl-benzonitrile Formula: C15H21N MolecularWeight: 215.33394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(C)(C)C(C)C)C#N

Isomeric SMILES

CCC1=C(C=C(C=C1)C(C)(C)C(C)C)C#N

InChI

InChI=1S/C15H21N/c1-6-12-7-8-14(9-13(12)10-16)15(4,5)11(2)3/h7-9,11H,6H2,1-5H3