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

Systemtic Name: 12-[4-[(E)-2-(4-hexadecylsulfanylphenyl)ethenyl]phenyl]sulfonyldodecan-1-ol Openeye Name: 12-[4-[(E)-2-(4-hexadecylsulfanylphenyl)vinyl]phenyl]sulfonyldodecan-1-ol CAS Name: 12-[4-[(E)-2-[4-(hexadecylthio)phenyl]ethenyl]phenyl]sulfonyl-1-dodecanol IUPAC Name: 12-[4-[(E)-2-(4-hexadecylsulfanylphenyl)ethenyl]phenyl]sulfonyldodecan-1-ol Traditional Name: 12-[4-[(E)-2-[4-(cetylthio)phenyl]vinyl]phenyl]sulfonyldodecan-1-ol Formula: C42H68O3S2 MolecularWeight: 685.11752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H68O3S2/c1-2-3-4-5-6-7-8-9-10-12-15-18-21-24-37-46-41-32-28-39(29-33-41)26-27-40-30-34-42(35-31-40)47(44,45)38-25-22-19-16-13-11-14-17-20-23-36-43/h26-35,43H,2-25,36-38H2,1H3/b27-26+