6-(3,4-dimethylphenyl)-2-ethyl-5-methyl-hexanenitrile

Systemtic Name: 6-(3,4-dimethylphenyl)-2-ethyl-5-methyl-hexanenitrile Openeye Name: 6-(3,4-dimethylphenyl)-2-ethyl-5-methyl-hexanenitrile CAS Name: 6-(3,4-dimethylphenyl)-2-ethyl-5-methylhexanenitrile IUPAC Name: 6-(3,4-dimethylphenyl)-2-ethyl-5-methylhexanenitrile Traditional Name: 6-(3,4-dimethylphenyl)-2-ethyl-5-methyl-hexanenitrile Formula: C17H25N MolecularWeight: 243.3871

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C)CC1=CC(=C(C=C1)C)C)C#N

Isomeric SMILES

CCC(CCC(C)CC1=CC(=C(C=C1)C)C)C#N

InChI

InChI=1S/C17H25N/c1-5-16(12-18)8-6-13(2)10-17-9-7-14(3)15(4)11-17/h7,9,11,13,16H,5-6,8,10H2,1-4H3