8-[4-(1-cyanoheptadecan-7-yl)-3-methyl-phenyl]octadecanenitrile

Systemtic Name: 8-[4-(1-cyanoheptadecan-7-yl)-3-methyl-phenyl]octadecanenitrile Openeye Name: 8-[4-[1-(6-cyanohexyl)undecyl]-3-methyl-phenyl]octadecanenitrile CAS Name: 8-[4-(1-cyanoheptadecan-7-yl)-3-methylphenyl]octadecanenitrile IUPAC Name: 8-[4-(1-cyanoheptadecan-7-yl)-3-methylphenyl]octadecanenitrile Traditional Name: 8-[4-[1-(6-cyanohexyl)undecyl]-3-methyl-phenyl]stearonitrile Formula: C43H74N2 MolecularWeight: 619.06106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCC#N)C1=CC(=C(C=C1)C(CCCCCCCCCC)CCCCCCC#N)C

Isomeric SMILES

CCCCCCCCCCC(CCCCCCC#N)C1=CC(=C(C=C1)C(CCCCCCCCCC)CCCCCCC#N)C

InChI

InChI=1S/C43H74N2/c1-4-6-8-10-12-14-18-24-30-40(31-25-20-16-22-28-36-44)42-34-35-43(39(3)38-42)41(33-27-21-17-23-29-37-45)32-26-19-15-13-11-9-7-5-2/h34-35,38,40-41H,4-33H2,1-3H3