6-hexyl-2,3-diphenyl-benzenecarbonitrile

Systemtic Name: 6-hexyl-2,3-diphenyl-benzenecarbonitrile Openeye Name: 6-hexyl-2,3-diphenyl-benzonitrile CAS Name: 6-hexyl-2,3-diphenylbenzonitrile IUPAC Name: 6-hexyl-2,3-diphenylbenzonitrile Traditional Name: 6-hexyl-2,3-diphenyl-benzonitrile Formula: C25H25N MolecularWeight: 339.4727

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C=C1)C2=CC=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCCCC1=C(C(=C(C=C1)C2=CC=CC=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C25H25N/c1-2-3-4-7-14-21-17-18-23(20-12-8-5-9-13-20)25(24(21)19-26)22-15-10-6-11-16-22/h5-6,8-13,15-18H,2-4,7,14H2,1H3