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4-[(dioctadecylamino)methyl]benzenecarbonitrile

4-[(dioctadecylamino)methyl]benzenecarbonitrile

Systemtic Name:4-[(dioctadecylamino)methyl]benzenecarbonitrile
Openeye Name:4-[(dioctadecylamino)methyl]benzonitrile
CAS Name:4-[(dioctadecylamino)methyl]benzonitrile
IUPAC Name:4-[(dioctadecylamino)methyl]benzonitrile
Traditional Name:4-[(distearylamino)methyl]benzonitrile
Formula: C44H80N2
MolecularWeight: 637.1194
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CC1=CC=C(C=C1)C#N


Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CC1=CC=C(C=C1)C#N


InChI

InChI=1S/C44H80N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-46(42-44-37-35-43(41-45)36-38-44)40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-38H,3-34,39-40,42H2,1-2H3


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