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

Systemtic Name: 8-[4-[(E)-2-(4-hexadecylsulfanylphenyl)ethenyl]phenyl]sulfonyloctan-1-ol Openeye Name: 8-[4-[(E)-2-(4-hexadecylsulfanylphenyl)vinyl]phenyl]sulfonyloctan-1-ol CAS Name: 8-[4-[(E)-2-[4-(hexadecylthio)phenyl]ethenyl]phenyl]sulfonyl-1-octanol IUPAC Name: 8-[4-[(E)-2-(4-hexadecylsulfanylphenyl)ethenyl]phenyl]sulfonyloctan-1-ol Traditional Name: 8-[4-[(E)-2-[4-(cetylthio)phenyl]vinyl]phenyl]sulfonyloctan-1-ol Formula: C38H60O3S2 MolecularWeight: 629.0112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H60O3S2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-33-42-37-28-24-35(25-29-37)22-23-36-26-30-38(31-27-36)43(40,41)34-21-18-15-13-16-19-32-39/h22-31,39H,2-21,32-34H2,1H3/b23-22+