3-(1,3-dihexadecoxypropan-2-yloxymethyl)benzenecarbonitrile

Systemtic Name: 3-(1,3-dihexadecoxypropan-2-yloxymethyl)benzenecarbonitrile Openeye Name: 3-[[2-hexadecoxy-1-(hexadecoxymethyl)ethoxy]methyl]benzonitrile CAS Name: 3-(1,3-dihexadecoxypropan-2-yloxymethyl)benzonitrile IUPAC Name: 3-(1,3-dihexadecoxypropan-2-yloxymethyl)benzonitrile Traditional Name: 3-[[2-cetyloxy-1-(cetyloxymethyl)ethoxy]methyl]benzonitrile Formula: C43H77NO3 MolecularWeight: 656.07638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COCCCCCCCCCCCCCCCC)OCC1=CC=CC(=C1)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COCCCCCCCCCCCCCCCC)OCC1=CC=CC(=C1)C#N

InChI

InChI=1S/C43H77NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-45-39-43(47-38-42-33-31-32-41(36-42)37-44)40-46-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-33,36,43H,3-30,34-35,38-40H2,1-2H3