2-[[4-(carboxymethylsulfanyl)-6-hexadecylsulfanyl-1,3,5-triazin-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(carboxymethylsulfanyl)-6-hexadecylsulfanyl-1,3,5-triazin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(carboxymethylsulfanyl)-6-hexadecylsulfanyl-1,3,5-triazin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(carboxymethylthio)-6-(hexadecylthio)-1,3,5-triazin-2-yl]thio]acetic acid IUPAC Name: 2-[[4-(carboxymethylsulfanyl)-6-hexadecylsulfanyl-1,3,5-triazin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(carboxymethylthio)-6-(cetylthio)-s-triazin-2-yl]thio]acetic acid Formula: C23H39N3O4S3 MolecularWeight: 517.76846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=NC(=NC(=N1)SCC(=O)O)SCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=NC(=NC(=N1)SCC(=O)O)SCC(=O)O

InChI

InChI=1S/C23H39N3O4S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-31-21-24-22(32-17-19(27)28)26-23(25-21)33-18-20(29)30/h2-18H2,1H3,(H,27,28)(H,29,30)