4,5-dihexadecylbenzene-1,2-dicarbonitrile

Systemtic Name: 4,5-dihexadecylbenzene-1,2-dicarbonitrile Openeye Name: 4,5-dihexadecylphthalonitrile CAS Name: 4,5-dihexadecylbenzene-1,2-dicarbonitrile IUPAC Name: 4,5-dihexadecylbenzene-1,2-dicarbonitrile Traditional Name: 4,5-dicetylphthalonitrile Formula: C40H68N2 MolecularWeight: 576.98132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C=C(C(=C1)C#N)C#N)CCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C=C(C(=C1)C#N)C#N)CCCCCCCCCCCCCCCC

InChI

InChI=1S/C40H68N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-33-39(35-41)40(36-42)34-38(37)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3