5-dodecylsulfanyl-2H-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-dodecylsulfanyl-2H-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-dodecylsulfanyl-2H-triazole-4-carboxylic acid CAS Name: 5-(dodecylthio)-2H-triazole-4-carboxylic acid IUPAC Name: 5-dodecylsulfanyl-2H-triazole-4-carboxylic acid Traditional Name: 5-(laurylthio)-2H-triazole-4-carboxylic acid Formula: C15H27N3O2S MolecularWeight: 313.45878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NNN=C1C(=O)O

Isomeric SMILES

CCCCCCCCCCCCSC1=NNN=C1C(=O)O

InChI

InChI=1S/C15H27N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-21-14-13(15(19)20)16-18-17-14/h2-12H2,1H3,(H,19,20)(H,16,17,18)