4-[4-(3-methylhexyl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(3-methylhexyl)phenyl]benzenecarbonitrile Openeye Name: 4-[4-(3-methylhexyl)phenyl]benzonitrile CAS Name: 4-[4-(3-methylhexyl)phenyl]benzonitrile IUPAC Name: 4-[4-(3-methylhexyl)phenyl]benzonitrile Traditional Name: 4-[4-(3-methylhexyl)phenyl]benzonitrile Formula: C20H23N MolecularWeight: 277.40332

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCC(C)CCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H23N/c1-3-4-16(2)5-6-17-7-11-19(12-8-17)20-13-9-18(15-21)10-14-20/h7-14,16H,3-6H2,1-2H3