4-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-N,N-dioctadecyl-aniline

Systemtic Name: 4-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-N,N-dioctadecyl-aniline Openeye Name: 4-[(E)-2-(4-methylsulfonylphenyl)vinyl]-N,N-dioctadecyl-aniline CAS Name: 4-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-N,N-dioctadecylaniline IUPAC Name: 4-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-N,N-dioctadecylaniline Traditional Name: [4-[(E)-2-(4-mesylphenyl)vinyl]phenyl]-distearyl-amine Formula: C51H87NO2S MolecularWeight: 778.30698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C1=CC=C(C=C1)C=CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C51H87NO2S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-46-52(47-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)50-42-38-48(39-43-50)36-37-49-40-44-51(45-41-49)55(3,53)54/h36-45H,4-35,46-47H2,1-3H3/b37-36+