2-[(Z)-4-butyl-5-iodanyl-1-phenyl-non-4-enyl]propanedinitrile

Systemtic Name: 2-[(Z)-4-butyl-5-iodanyl-1-phenyl-non-4-enyl]propanedinitrile Openeye Name: 2-[(Z)-4-butyl-5-iodo-1-phenyl-non-4-enyl]propanedinitrile CAS Name: 2-[(Z)-4-butyl-5-iodo-1-phenylnon-4-enyl]propanedinitrile IUPAC Name: 2-[(Z)-4-butyl-5-iodo-1-phenylnon-4-enyl]propanedinitrile Traditional Name: 2-[(Z)-4-butyl-5-iodo-1-phenyl-non-4-enyl]malononitrile Formula: C22H29IN2 MolecularWeight: 448.38353

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C(CCCC)I)CCC(C1=CC=CC=C1)C(C#N)C#N

Isomeric SMILES

CCCC/C(=C(\CCCC)/I)/CCC(C1=CC=CC=C1)C(C#N)C#N

InChI

InChI=1S/C22H29IN2/c1-3-5-10-19(22(23)13-6-4-2)14-15-21(20(16-24)17-25)18-11-8-7-9-12-18/h7-9,11-12,20-21H,3-6,10,13-15H2,1-2H3/b22-19-