3-[4-[(E)-2-(4-octadecylsulfanylphenyl)ethenyl]phenyl]sulfonylpropan-1-ol

Systemtic Name: 3-[4-[(E)-2-(4-octadecylsulfanylphenyl)ethenyl]phenyl]sulfonylpropan-1-ol Openeye Name: 3-[4-[(E)-2-(4-octadecylsulfanylphenyl)vinyl]phenyl]sulfonylpropan-1-ol CAS Name: 3-[4-[(E)-2-[4-(octadecylthio)phenyl]ethenyl]phenyl]sulfonyl-1-propanol IUPAC Name: 3-[4-[(E)-2-(4-octadecylsulfanylphenyl)ethenyl]phenyl]sulfonylpropan-1-ol Traditional Name: 3-[4-[(E)-2-[4-(stearylthio)phenyl]vinyl]phenyl]sulfonylpropan-1-ol Formula: C35H54O3S2 MolecularWeight: 586.93146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H54O3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30-39-34-25-21-32(22-26-34)19-20-33-23-27-35(28-24-33)40(37,38)31-18-29-36/h19-28,36H,2-18,29-31H2,1H3/b20-19+