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

Systemtic Name: 8-[4-[(E)-2-(4-octadecylsulfanylphenyl)ethenyl]phenyl]sulfonyloctan-1-ol Openeye Name: 8-[4-[(E)-2-(4-octadecylsulfanylphenyl)vinyl]phenyl]sulfonyloctan-1-ol CAS Name: 8-[4-[(E)-2-[4-(octadecylthio)phenyl]ethenyl]phenyl]sulfonyl-1-octanol IUPAC Name: 8-[4-[(E)-2-(4-octadecylsulfanylphenyl)ethenyl]phenyl]sulfonyloctan-1-ol Traditional Name: 8-[4-[(E)-2-[4-(stearylthio)phenyl]vinyl]phenyl]sulfonyloctan-1-ol Formula: C40H64O3S2 MolecularWeight: 657.06436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=CC=C(C=C1)C=CC2=CC=C(C=C2)S(=O)(=O)CCCCCCCCO

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)S(=O)(=O)CCCCCCCCO

InChI

InChI=1S/C40H64O3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-35-44-39-30-26-37(27-31-39)24-25-38-28-32-40(33-29-38)45(42,43)36-23-20-17-15-18-21-34-41/h24-33,41H,2-23,34-36H2,1H3/b25-24+