8-[4-[(E)-2-[4-(dihexadecylamino)phenyl]ethenyl]phenyl]sulfonyloctan-1-ol

Systemtic Name: 8-[4-[(E)-2-[4-(dihexadecylamino)phenyl]ethenyl]phenyl]sulfonyloctan-1-ol Openeye Name: 8-[4-[(E)-2-[4-(dihexadecylamino)phenyl]vinyl]phenyl]sulfonyloctan-1-ol CAS Name: 8-[4-[(E)-2-[4-(dihexadecylamino)phenyl]ethenyl]phenyl]sulfonyl-1-octanol IUPAC Name: 8-[4-[(E)-2-[4-(dihexadecylamino)phenyl]ethenyl]phenyl]sulfonyloctan-1-ol Traditional Name: 8-[4-[(E)-2-[4-(dicetylamino)phenyl]vinyl]phenyl]sulfonyloctan-1-ol Formula: C54H93NO3S MolecularWeight: 836.38612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C1=CC=C(C=C1)C=CC2=CC=C(C=C2)S(=O)(=O)CCCCCCCCO

Isomeric SMILES

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)S(=O)(=O)CCCCCCCCO

InChI

InChI=1S/C54H93NO3S/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-33-47-55(48-34-30-26-24-22-20-18-16-14-12-10-8-6-4-2)53-43-39-51(40-44-53)37-38-52-41-45-54(46-42-52)59(57,58)50-36-32-28-27-31-35-49-56/h37-46,56H,3-36,47-50H2,1-2H3/b38-37+