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Details

Stereochemistry ACHIRAL
Molecular Formula C14H25N3O2S
Molecular Weight 299.432
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(UNDECAN-6-YLSULFANYL)-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID

SMILES

CCCCCC(CCCCC)SC1=C(NN=N1)C(O)=O

InChI

InChIKey=GROSWUGUHPUYIU-UHFFFAOYSA-N
InChI=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)

HIDE SMILES / InChI

Molecular Formula C14H25N3O2S
Molecular Weight 299.432
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:33:20 GMT 2023
Edited
by admin
on Sat Dec 16 16:33:20 GMT 2023
Record UNII
QUK2CK0JPA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(UNDECAN-6-YLSULFANYL)-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID
Systematic Name English
5-((1-PENTYLHEXYL)THIO)-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID
Systematic Name English
1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID, 5-((1-PENTYLHEXYL)THIO)-
Systematic Name English
4-UNDECAN-6-YLSULFANYL-1H-1,2,3-TRIAZOLE-5-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
CAS
190080-32-1
Created by admin on Sat Dec 16 16:33:20 GMT 2023 , Edited by admin on Sat Dec 16 16:33:20 GMT 2023
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EPA CompTox
DTXSID40332150
Created by admin on Sat Dec 16 16:33:20 GMT 2023 , Edited by admin on Sat Dec 16 16:33:20 GMT 2023
PRIMARY
PUBCHEM
444302
Created by admin on Sat Dec 16 16:33:20 GMT 2023 , Edited by admin on Sat Dec 16 16:33:20 GMT 2023
PRIMARY
FDA UNII
QUK2CK0JPA
Created by admin on Sat Dec 16 16:33:20 GMT 2023 , Edited by admin on Sat Dec 16 16:33:20 GMT 2023
PRIMARY