N-[(2-bromanyl-6-dodeca-1,3-diynyl-4-methyl-phenyl)diazenyl]-N-ethyl-aniline

Systemtic Name: N-[(2-bromanyl-6-dodeca-1,3-diynyl-4-methyl-phenyl)diazenyl]-N-ethyl-aniline Openeye Name: N-(2-bromo-6-dodeca-1,3-diynyl-4-methyl-phenyl)azo-N-ethyl-aniline CAS Name: N-(2-bromo-6-dodeca-1,3-diynyl-4-methylphenyl)azo-N-ethylaniline IUPAC Name: N-[(2-bromo-6-dodeca-1,3-diynyl-4-methylphenyl)diazenyl]-N-ethylaniline Traditional Name: (2-bromo-6-dodeca-1,3-diynyl-4-methyl-phenyl)azo-ethyl-phenyl-amine Formula: C27H32BrN3 MolecularWeight: 478.46708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC#CC1=CC(=CC(=C1N=NN(CC)C2=CC=CC=C2)Br)C

Isomeric SMILES

CCCCCCCCC#CC#CC1=CC(=CC(=C1N=NN(CC)C2=CC=CC=C2)Br)C

InChI

InChI=1S/C27H32BrN3/c1-4-6-7-8-9-10-11-12-13-15-18-24-21-23(3)22-26(28)27(24)29-30-31(5-2)25-19-16-14-17-20-25/h14,16-17,19-22H,4-11H2,1-3H3