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3-[(dotriacontan-16-ylamino)methyl]benzenecarbonitrile

3-[(dotriacontan-16-ylamino)methyl]benzenecarbonitrile

Systemtic Name:3-[(dotriacontan-16-ylamino)methyl]benzenecarbonitrile
Openeye Name:3-[(1-pentadecylheptadecylamino)methyl]benzonitrile
CAS Name:3-[(dotriacontan-16-ylamino)methyl]benzonitrile
IUPAC Name:3-[(dotriacontan-16-ylamino)methyl]benzonitrile
Traditional Name:3-[(1-pentadecylheptadecylamino)methyl]benzonitrile
Formula: C40H72N2
MolecularWeight: 581.01308
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)NCC1=CC=CC(=C1)C#N


Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)NCC1=CC=CC(=C1)C#N


InChI

InChI=1S/C40H72N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-40(42-37-39-32-30-31-38(35-39)36-41)33-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30-32,35,40,42H,3-29,33-34,37H2,1-2H3


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