6-[4-[(E)-2-(4-hexadecylsulfanylphenyl)ethenyl]phenyl]sulfonylhexan-1-ol

Systemtic Name: 6-[4-[(E)-2-(4-hexadecylsulfanylphenyl)ethenyl]phenyl]sulfonylhexan-1-ol Openeye Name: 6-[4-[(E)-2-(4-hexadecylsulfanylphenyl)vinyl]phenyl]sulfonylhexan-1-ol CAS Name: 6-[4-[(E)-2-[4-(hexadecylthio)phenyl]ethenyl]phenyl]sulfonyl-1-hexanol IUPAC Name: 6-[4-[(E)-2-(4-hexadecylsulfanylphenyl)ethenyl]phenyl]sulfonylhexan-1-ol Traditional Name: 6-[4-[(E)-2-[4-(cetylthio)phenyl]vinyl]phenyl]sulfonylhexan-1-ol Formula: C36H56O3S2 MolecularWeight: 600.95804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=CC=C(C=C1)C=CC2=CC=C(C=C2)S(=O)(=O)CCCCCCO

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)S(=O)(=O)CCCCCCO

InChI

InChI=1S/C36H56O3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-31-40-35-26-22-33(23-27-35)20-21-34-24-28-36(29-25-34)41(38,39)32-19-16-14-17-30-37/h20-29,37H,2-19,30-32H2,1H3/b21-20+