9-[4-(1-cyanoheptadecan-8-yl)-3-methyl-phenyl]octadecanenitrile

Systemtic Name: 9-[4-(1-cyanoheptadecan-8-yl)-3-methyl-phenyl]octadecanenitrile Openeye Name: 9-[4-[1-(7-cyanoheptyl)decyl]-3-methyl-phenyl]octadecanenitrile CAS Name: 9-[4-(1-cyanoheptadecan-8-yl)-3-methylphenyl]octadecanenitrile IUPAC Name: 9-[4-(1-cyanoheptadecan-8-yl)-3-methylphenyl]octadecanenitrile Traditional Name: 9-[4-[1-(7-cyanoheptyl)decyl]-3-methyl-phenyl]stearonitrile Formula: C43H74N2 MolecularWeight: 619.06106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC#N)C1=CC(=C(C=C1)C(CCCCCCCCC)CCCCCCCC#N)C

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC#N)C1=CC(=C(C=C1)C(CCCCCCCCC)CCCCCCCC#N)C

InChI

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