12-[4-[(E)-2-(4-octadecylsulfanylphenyl)ethenyl]phenyl]sulfonyldodecan-1-ol

Systemtic Name: 12-[4-[(E)-2-(4-octadecylsulfanylphenyl)ethenyl]phenyl]sulfonyldodecan-1-ol Openeye Name: 12-[4-[(E)-2-(4-octadecylsulfanylphenyl)vinyl]phenyl]sulfonyldodecan-1-ol CAS Name: 12-[4-[(E)-2-[4-(octadecylthio)phenyl]ethenyl]phenyl]sulfonyl-1-dodecanol IUPAC Name: 12-[4-[(E)-2-(4-octadecylsulfanylphenyl)ethenyl]phenyl]sulfonyldodecan-1-ol Traditional Name: 12-[4-[(E)-2-[4-(stearylthio)phenyl]vinyl]phenyl]sulfonyldodecan-1-ol Formula: C44H72O3S2 MolecularWeight: 713.17068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H72O3S2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-23-26-39-48-43-34-30-41(31-35-43)28-29-42-32-36-44(37-33-42)49(46,47)40-27-24-21-18-15-13-16-19-22-25-38-45/h28-37,45H,2-27,38-40H2,1H3/b29-28+