8,9,10-tridodecoxy-3-methyl-benzo[f]quinoline-5-carbonitrile

Systemtic Name: 8,9,10-tridodecoxy-3-methyl-benzo[f]quinoline-5-carbonitrile Openeye Name: 8,9,10-tridodecoxy-3-methyl-benzo[f]quinoline-5-carbonitrile CAS Name: 8,9,10-tridodecoxy-3-methyl-5-benzo[f]quinolinecarbonitrile IUPAC Name: 8,9,10-tridodecoxy-3-methylbenzo[f]quinoline-5-carbonitrile Traditional Name: 8,9,10-trilauryloxy-3-methyl-benzo[f]quinoline-5-carbonitrile Formula: C51H82N2O3 MolecularWeight: 771.20838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C(=C2C3=C(C(=CC2=C1)C#N)N=C(C=C3)C)OCCCCCCCCCCCC)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C(=C2C3=C(C(=CC2=C1)C#N)N=C(C=C3)C)OCCCCCCCCCCCC)OCCCCCCCCCCCC

InChI

InChI=1S/C51H82N2O3/c1-5-8-11-14-17-20-23-26-29-32-37-54-47-41-44-40-45(42-52)49-46(36-35-43(4)53-49)48(44)51(56-39-34-31-28-25-22-19-16-13-10-7-3)50(47)55-38-33-30-27-24-21-18-15-12-9-6-2/h35-36,40-41H,5-34,37-39H2,1-4H3