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 13 results

Search term: NWJBWNIUGNXJGO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9984300

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C13H16FN3O6/c1-5-9(22-6(2)18)10(23-7(3)19)12(21-5)17-4-8(14)11(15)16-13(17)20/h4-5,9-10,12H,1-3H3,(H2,15,16,20)/t5-,9-,10-,12-/m1/s1
C13H16FN3O6329.281927801
14198632

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C13H16FN3O6/c1-5-9(22-6(2)18)10(23-7(3)19)12(21-5)17-4-8(14)11(15)16-13(17)20/h4-5,9-10,12H,1-3H3,(H2,15,16,20)
C13H16FN3O6329.28112300
107447950

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C13H16FN3O6/c1-5-9(22-6(2)18)10(23-7(3)19)12(21-5)17-4-8(14)11(15)16-13(17)20/h4-5,9-10,12H,1-3H3,(H2,15,16,20)/t5-,9-,10-,12+/m1/s1
C13H16FN3O6329.2813300
44209563

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C13H16FN3O6/c1-5-9(22-6(2)18)10(23-7(3)19)12(21-5)17-4-8(14)11(15)16-13(17)20/h4-5,9-10,12H,1-3H3,(H2,15,16,20)/t5-,9+,10-,12-/m1/s1
C13H16FN3O6329.2812100
111310277

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C13H16FN3O6/c1-5-9(22-6(2)18)10(23-7(3)19)12(21-5)17-4-8(14)11(15)16-13(17)20/h4-5,9-10,12H,1-3H3,(H2,15,16,20)/t5-,9?,10?,12-/m0/s1
C13H16FN3O6329.2812200
111311052

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C13H16FN3O6/c1-5-9(22-6(2)18)10(23-7(3)19)12(21-5)17-4-8(14)11(15)16-13(17)20/h4-5,9-10,12H,1-3H3,(H2,15,16,20)/t5-,9-,10-,12+/m0/s1
C13H16FN3O6329.2811100
113608882

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C13H16FN3O6/c1-5-9(22-6(2)18)10(23-7(3)19)12(21-5)17-4-8(14)11(15)16-13(17)20/h4-5,9-10,12H,1-3H3,(H2,15,16,20)/t5-,9-,10+,12+/m0/s1
C13H16FN3O6329.2811100
122905503

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C13H16FN3O6/c1-5-9(22-6(2)18)10(23-7(3)19)12(21-5)17-4-8(14)11(15)16-13(17)20/h4-5,9-10,12H,1-3H3,(H2,15,16,20)/t5-,9?,10+,12-/m0/s1
C13H16FN3O6329.2811100
78431041

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C13H16FN3O6/c1-5-9(22-6(2)18)10(23-7(3)19)12(21-5)17-4-8(14)11(15)16-13(17)20/h4-5,9-10,12H,1-3H3,(H2,15,16,20)/t5-,9-,10?,12?/m1/s1
C13H16FN3O6329.2811100
110095029

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C13H16FN3O6/c1-5-9(22-6(2)18)10(23-7(3)19)12(21-5)17-4-8(14)11(15)16-13(17)20/h4-5,9-10,12H,1-3H3,(H2,15,16,20)/t5-,9-,10-,12-/m0/s1
C13H16FN3O6329.2811100
110095101

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C13H16FN3O6/c1-5-9(22-6(2)18)10(23-7(3)19)12(21-5)17-4-8(14)11(15)16-13(17)20/h4-5,9-10,12H,1-3H3,(H2,15,16,20)/t5-,9+,10-,12-/m0/s1
C13H16FN3O6329.2811100
111308358

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C13H16FN3O6/c1-5-9(22-6(2)18)10(23-7(3)19)12(21-5)17-4-8(14)11(15)16-13(17)20/h4-5,9-10,12H,1-3H3,(H2,15,16,20)/t5-,9+,10?,12-/m0/s1
C13H16FN3O6329.2811100

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