skip to main content

Chemistry, part 1

Content language

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

Concept information

organic aromatic compound > aromatic ether > 1-(/{1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-(methylsulfonyl)benzoyl]-1h-pyrazol-5-yl/}oxy)ethyl methyl carbonate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > sulfone > 1-(/{1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-(methylsulfonyl)benzoyl]-1h-pyrazol-5-yl/}oxy)ethyl methyl carbonate
organooxygen compound > carbonyl compound > ketone > aromatic ketone > 1-(/{1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-(methylsulfonyl)benzoyl]-1h-pyrazol-5-yl/}oxy)ethyl methyl carbonate
organooxygen compound > ester > carboxylic ester > carbonate ester > 1-(/{1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-(methylsulfonyl)benzoyl]-1h-pyrazol-5-yl/}oxy)ethyl methyl carbonate
organooxygen compound > carbonyl compound > carboxylic ester > carbonate ester > 1-(/{1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-(methylsulfonyl)benzoyl]-1h-pyrazol-5-yl/}oxy)ethyl methyl carbonate
organooxygen compound > carbonates > carbonate ester > 1-(/{1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-(methylsulfonyl)benzoyl]-1h-pyrazol-5-yl/}oxy)ethyl methyl carbonate

Preferred term

1-(/{1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-(methylsulfonyl)benzoyl]-1h-pyrazol-5-yl/}oxy)ethyl methyl carbonate  

Type

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

Broader concept

Narrower concepts

charge

  • 0

formula

  • C21H28N2O9S

inchi

  • InChI=1S/C21H28N2O9S/c1-7-23-20(31-14(3)32-21(25)29-5)16(12-22-23)18(24)15-8-9-17(33(6,26)27)19(13(15)2)30-11-10-28-4/h8-9,12,14H,7,10-11H2,1-6H3

inchikey

  • GHLCSCRDVVEUQD-UHFFFAOYSA-N

mass

  • 484.520

monoisotopicmass

  • 484.15155

smiles

  • C=1C(=C(C(=C(C1)C(=O)C=2C=NN(C2OC(OC(OC)=O)C)CC)C)OCCOC)S(C)(=O)=O

subset

  • 3_STAR

synonym EXACT

  • 1-({1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-(methylsulfonyl)benzoyl]-1H-pyrazol-5-yl}oxy)ethyl methyl carbonate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:145511

Download this concept:

RDF/XML TURTLE JSON-LD