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

Systemtic Name: 2-[[4-(carboxymethylsulfanyl)-6-dodecylsulfanyl-1,3,5-triazin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(carboxymethylsulfanyl)-6-dodecylsulfanyl-1,3,5-triazin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(carboxymethylthio)-6-(dodecylthio)-1,3,5-triazin-2-yl]thio]acetic acid IUPAC Name: 2-[[4-(carboxymethylsulfanyl)-6-dodecylsulfanyl-1,3,5-triazin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(carboxymethylthio)-6-(laurylthio)-s-triazin-2-yl]thio]acetic acid Formula: C19H31N3O4S3 MolecularWeight: 461.66214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC(=NC(=N1)SCC(=O)O)SCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCSC1=NC(=NC(=N1)SCC(=O)O)SCC(=O)O

InChI

InChI=1S/C19H31N3O4S3/c1-2-3-4-5-6-7-8-9-10-11-12-27-17-20-18(28-13-15(23)24)22-19(21-17)29-14-16(25)26/h2-14H2,1H3,(H,23,24)(H,25,26)