18-[[4,6-bis[(18-oxidanyl-18-oxidanylidene-octadecyl)sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]octadecanoic acid

Systemtic Name: 18-[[4,6-bis[(18-oxidanyl-18-oxidanylidene-octadecyl)sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]octadecanoic acid Openeye Name: 18-[[4,6-bis[(18-hydroxy-18-oxo-octadecyl)sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]octadecanoic acid CAS Name: 18-[[4,6-bis[(18-hydroxy-18-oxooctadecyl)thio]-1,3,5-triazin-2-yl]thio]octadecanoic acid IUPAC Name: 18-[[4,6-bis[(18-hydroxy-18-oxooctadecyl)sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]octadecanoic acid Traditional Name: 18-[[4,6-bis[(18-hydroxy-18-keto-octadecyl)thio]-s-triazin-2-yl]thio]stearic acid Formula: C57H105N3O6S3 MolecularWeight: 1024.6551

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCCCC(=O)O)CCCCCCCCSC1=NC(=NC(=N1)SCCCCCCCCCCCCCCCCCC(=O)O)SCCCCCCCCCCCCCCCCCC(=O)O

Isomeric SMILES

C(CCCCCCCCC(=O)O)CCCCCCCCSC1=NC(=NC(=N1)SCCCCCCCCCCCCCCCCCC(=O)O)SCCCCCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C57H105N3O6S3/c61-52(62)46-40-34-28-22-16-10-4-1-7-13-19-25-31-37-43-49-67-55-58-56(68-50-44-38-32-26-20-14-8-2-5-11-17-23-29-35-41-47-53(63)64)60-57(59-55)69-51-45-39-33-27-21-15-9-3-6-12-18-24-30-36-42-48-54(65)66/h1-51H2,(H,61,62)(H,63,64)(H,65,66)