3-(2,3-dihexadecoxypropoxymethyl)benzenecarbonitrile

Systemtic Name: 3-(2,3-dihexadecoxypropoxymethyl)benzenecarbonitrile Openeye Name: 3-(2,3-dihexadecoxypropoxymethyl)benzonitrile CAS Name: 3-(2,3-dihexadecoxypropoxymethyl)benzonitrile IUPAC Name: 3-(2,3-dihexadecoxypropoxymethyl)benzonitrile Traditional Name: 3-(2,3-dicetyloxypropoxymethyl)benzonitrile Formula: C43H77NO3 MolecularWeight: 656.07638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COCC1=CC=CC(=C1)C#N)OCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COCC1=CC=CC(=C1)C#N)OCCCCCCCCCCCCCCCC

InChI

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