11-[4-[(E)-2-(4-hexadecylsulfanylphenyl)ethenyl]phenyl]sulfonylundecan-1-ol

Systemtic Name: 11-[4-[(E)-2-(4-hexadecylsulfanylphenyl)ethenyl]phenyl]sulfonylundecan-1-ol Openeye Name: 11-[4-[(E)-2-(4-hexadecylsulfanylphenyl)vinyl]phenyl]sulfonylundecan-1-ol CAS Name: 11-[4-[(E)-2-[4-(hexadecylthio)phenyl]ethenyl]phenyl]sulfonyl-1-undecanol IUPAC Name: 11-[4-[(E)-2-(4-hexadecylsulfanylphenyl)ethenyl]phenyl]sulfonylundecan-1-ol Traditional Name: 11-[4-[(E)-2-[4-(cetylthio)phenyl]vinyl]phenyl]sulfonylundecan-1-ol Formula: C41H66O3S2 MolecularWeight: 671.09094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H66O3S2/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-23-36-45-40-31-27-38(28-32-40)25-26-39-29-33-41(34-30-39)46(43,44)37-24-21-18-15-12-13-16-19-22-35-42/h25-34,42H,2-24,35-37H2,1H3/b26-25+