2-[[4-(bromomethyl)-3-dodecoxy-phenyl]methylidene]propanedinitrile

Systemtic Name: 2-[[4-(bromomethyl)-3-dodecoxy-phenyl]methylidene]propanedinitrile Openeye Name: 2-[[4-(bromomethyl)-3-dodecoxy-phenyl]methylene]propanedinitrile CAS Name: 2-[[4-(bromomethyl)-3-dodecoxyphenyl]methylidene]propanedinitrile IUPAC Name: 2-[[4-(bromomethyl)-3-dodecoxyphenyl]methylidene]propanedinitrile Traditional Name: 2-[4-(bromomethyl)-3-lauryloxy-benzylidene]malononitrile Formula: C23H31BrN2O MolecularWeight: 431.40904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=CC(=C1)C=C(C#N)C#N)CBr

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=CC(=C1)C=C(C#N)C#N)CBr

InChI

InChI=1S/C23H31BrN2O/c1-2-3-4-5-6-7-8-9-10-11-14-27-23-16-20(12-13-22(23)17-24)15-21(18-25)19-26/h12-13,15-16H,2-11,14,17H2,1H3