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 11 results

Search term: BYXHQQCXAJARLQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4585992

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H17N3O4/c1-4(10)7(13)11-5(2)8(14)12-6(3)9(15)16/h4-6H,10H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)/t4-,5-,6-/m0/s1
C9H17N3O4231.24942562295
5361469

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H17N3O4/c1-4(10)7(13)11-5(2)8(14)12-6(3)9(15)16/h4-6H,10H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)/t4-,5-,6-/m1/s1
C9H17N3O4231.2493727147
5381157

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H17N3O4/c1-4(10)7(13)11-5(2)8(14)12-6(3)9(15)16/h4-6H,10H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)/t4-,5+,6+/m1/s1
C9H17N3O4231.249352600
5380958

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H17N3O4/c1-4(10)7(13)11-5(2)8(14)12-6(3)9(15)16/h4-6H,10H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)/t4-,5+,6-/m0/s1
C9H17N3O4231.249211814
231450

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C9H17N3O4/c1-4(10)7(13)11-5(2)8(14)12-6(3)9(15)16/h4-6H,10H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)
C9H17N3O4231.249192038
99730

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H17N3O4/c1-4(10)7(13)11-5(2)8(14)12-6(3)9(15)16/h4-6H,10H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)/t4-,5-,6+/m0/s1
C9H17N3O4231.249131205
57558461

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H17N3O4/c1-4(10)7(13)11-5(2)8(14)12-6(3)9(15)16/h4-6H,10H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)/t4-,5+,6-/m1/s1
C9H17N3O4231.2493300
57558462

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H17N3O4/c1-4(10)7(13)11-5(2)8(14)12-6(3)9(15)16/h4-6H,10H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)/t4-,5-,6+/m1/s1
C9H17N3O4231.2493300
75224068

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H17N3O4/c1-4(10)7(13)11-5(2)8(14)12-6(3)9(15)16/h4-6H,10H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)/t4-,5+,6+/m0/s1
C9H17N3O4231.2491100
29335550

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C9H17N3O4/c1-4(10)7(13)11-5(2)8(14)12-6(3)9(15)16/h4-6H,10H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)/t4?,5?,6-/m1/s1
C9H17N3O4231.2491100

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