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CHEBI:43276 - 4-CARBOXY-5-(1-PENTYL)HEXYLSULFANYL-1,2,3-TRIAZOLE

Default Structure
ChEBI IDCHEBI:43276
ChEBI Name4-CARBOXY-5-(1-PENTYL)HEXYLSULFANYL-1,2,3-TRIAZOLE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC14H25N3O2S
Net Charge0
Average Mass299.440
Monoisotopic Mass299.16675
SMILES[H]OC(=O)c1nnn([H])c1SC([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
InChIInChI=1S/C14H25N3O2S/c1-3-5-7-9-11(10-8-6-4-2)20-13-12(14(18)19)15-17-16-13/h11H,3-10H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyGROSWUGUHPUYIU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-CARBOXY-5-(1-PENTYL)HEXYLSULFANYL-1,2,3-TRIAZOLE (CHEBI:43276) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-CARBOXY-5-(1-PENTYL)HEXYLSULFANYL-1,2,3-TRIAZOLEPDBeChem
5-[(1-pentylhexyl)sulfanyl]-1H-1,2,3-triazole-4-carboxylic acidPDBeChem
Manual XrefsDatabases
HSTPDBeChem