(E)-3-[3,4-bis[(E)-1-cyanohept-1-en-2-yl]phenyl]oct-2-enenitrile

Systemtic Name: (E)-3-[3,4-bis[(E)-1-cyanohept-1-en-2-yl]phenyl]oct-2-enenitrile Openeye Name: (E)-3-[3,4-bis[(1E)-1-(cyanomethylene)hexyl]phenyl]oct-2-enenitrile CAS Name: (E)-3-[3,4-bis[(E)-1-cyanohept-1-en-2-yl]phenyl]-2-octenenitrile IUPAC Name: (E)-3-[3,4-bis[(E)-1-cyanohept-1-en-2-yl]phenyl]oct-2-enenitrile Traditional Name: (E)-3-[3,4-bis[(E)-1-amyl-2-cyano-vinyl]phenyl]oct-2-enenitrile Formula: C30H39N3 MolecularWeight: 441.65076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC#N)C1=CC(=C(C=C1)C(=CC#N)CCCCC)C(=CC#N)CCCCC

Isomeric SMILES

CCCCC/C(=C\C#N)/C1=CC(=C(C=C1)/C(=C/C#N)/CCCCC)/C(=C/C#N)/CCCCC

InChI

InChI=1S/C30H39N3/c1-4-7-10-13-25(18-21-31)28-16-17-29(26(19-22-32)14-11-8-5-2)30(24-28)27(20-23-33)15-12-9-6-3/h16-20,24H,4-15H2,1-3H3/b25-18+,26-19+,27-20+