3-[[4-(2-carboxyethylsulfanyl)-6-dodecylsulfanyl-1,3,5-triazin-2-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[4-(2-carboxyethylsulfanyl)-6-dodecylsulfanyl-1,3,5-triazin-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-(2-carboxyethylsulfanyl)-6-dodecylsulfanyl-1,3,5-triazin-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-(2-carboxyethylthio)-6-(dodecylthio)-1,3,5-triazin-2-yl]thio]propanoic acid IUPAC Name: 3-[[4-(2-carboxyethylsulfanyl)-6-dodecylsulfanyl-1,3,5-triazin-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-(2-carboxyethylthio)-6-(laurylthio)-s-triazin-2-yl]thio]propionic acid Formula: C21H35N3O4S3 MolecularWeight: 489.7153

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC(=NC(=N1)SCCC(=O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCSC1=NC(=NC(=N1)SCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C21H35N3O4S3/c1-2-3-4-5-6-7-8-9-10-11-14-29-19-22-20(30-15-12-17(25)26)24-21(23-19)31-16-13-18(27)28/h2-16H2,1H3,(H,25,26)(H,27,28)