2-(3,5-dioctadecyl-2-oxidanyl-phenyl)sulfanyl-4,6-dioctadecyl-phenol

Systemtic Name: 2-(3,5-dioctadecyl-2-oxidanyl-phenyl)sulfanyl-4,6-dioctadecyl-phenol Openeye Name: 2-(2-hydroxy-3,5-dioctadecyl-phenyl)sulfanyl-4,6-dioctadecyl-phenol CAS Name: 2-[(2-hydroxy-3,5-dioctadecylphenyl)thio]-4,6-dioctadecylphenol IUPAC Name: 2-(2-hydroxy-3,5-dioctadecylphenyl)sulfanyl-4,6-dioctadecylphenol Traditional Name: 2-[(2-hydroxy-3,5-distearyl-phenyl)thio]-4,6-distearyl-phenol Formula: C84H154O2S MolecularWeight: 1228.18536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC(=C(C(=C1)SC2=CC(=CC(=C2O)CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)O)CCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC(=C(C(=C1)SC2=CC(=CC(=C2O)CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)O)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C84H154O2S/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-77-73-79(71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)83(85)81(75-77)87-82-76-78(70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)74-80(84(82)86)72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h73-76,85-86H,5-72H2,1-4H3