skip to main content

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > 1-(4-chlorophenyl)-4,4-dimethyl-3-(1h-1,2,4-triazol-1-ylmethyl)pentan-3-ol

Preferred term

1-(4-chlorophenyl)-4,4-dimethyl-3-(1h-1,2,4-triazol-1-ylmethyl)pentan-3-ol  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C16H22ClN3O

inchi

  • InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3

inchikey

  • PXMNMQRDXWABCY-UHFFFAOYSA-N

mass

  • 307.81800

monoisotopicmass

  • 307.14514

smiles

  • CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1

subset

  • 3_STAR

synonym EXACT

  • 1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:83779

Download this concept: