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4-undecan-6-ylsulfanyl-4H-1,2,3-triazole-5-carboxylic acid

4-undecan-6-ylsulfanyl-4H-1,2,3-triazole-5-carboxylic acid

Systemtic Name:4-undecan-6-ylsulfanyl-4H-1,2,3-triazole-5-carboxylic acid
Openeye Name:4-(1-pentylhexylsulfanyl)-4H-triazole-5-carboxylic acid
CAS Name:4-(undecan-6-ylthio)-4H-triazole-5-carboxylic acid
IUPAC Name:4-undecan-6-ylsulfanyl-4H-triazole-5-carboxylic acid
Traditional Name:4-(1-amylhexylthio)-4H-triazole-5-carboxylic acid
Formula: C14H25N3O2S
MolecularWeight: 299.4322
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCCC)SC1C(=NN=N1)C(=O)O


Isomeric SMILES

CCCCCC(CCCCC)SC1C(=NN=N1)C(=O)O


InChI

InChI=1S/C14H25N3O2S/c1-3-5-7-9-11(10-8-6-4-2)20-13-12(14(18)19)15-17-16-13/h11,13H,3-10H2,1-2H3,(H,18,19)


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