Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 9 results

Search term: HOKKHZGPKSLGJE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21436

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
C5H9NO4147.129312083429972150
4223

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)
C5H9NO4147.1293982462180
83935

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m0/s1
C5H9NO4147.12937576025
5342091

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/p-1/t3-/m1/s1
C5H8NO4146.121931087500
10606427

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/p-2
C5H7NO4145.114531218151
16739377

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/p-2/t3-/m1/s1
C5H7NO4145.11453700
65793132

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m0/s1/i1D
C5H8DNO4148.13542100
5363011

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/p-1/t3-/m0/s1
C5H8NO4146.1219214700
20171622

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/p-2/t3-/m0/s1
C5H7NO4145.11451114357

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