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 7 results

Search term: CGFRFKWGBUUPFU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29367695

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H25NO11/c1-10(23)22-14-6-8-15(9-7-14)32-21-19(31-13(4)26)17(30-12(3)25)16(29-11(2)24)18(33-21)20(27)28-5/h6-9,16-19,21H,1-5H3,(H,22,23)/t16-,17-,18-,19+,21+/m0/s1
C21H25NO11467.4233282500
2873284

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C21H25NO11/c1-10(23)22-14-6-8-15(9-7-14)32-21-19(31-13(4)26)17(30-12(3)25)16(29-11(2)24)18(33-21)20(27)28-5/h6-9,16-19,21H,1-5H3,(H,22,23)
C21H25NO11467.42335300
73993987

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C21H25NO11/c1-10(23)22-14-6-8-15(9-7-14)32-21-19(31-13(4)26)17(30-12(3)25)16(29-11(2)24)18(33-21)20(27)28-5/h6-9,16-19,21H,1-5H3,(H,22,23)/t16-,17-,18-,19+,21+/m0/s1/i1D3
C21H22D3NO11470.44184400
23977328

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C21H25NO11/c1-10(23)22-14-6-8-15(9-7-14)32-21-19(31-13(4)26)17(30-12(3)25)16(29-11(2)24)18(33-21)20(27)28-5/h6-9,16-19,21H,1-5H3,(H,22,23)/t16-,17-,18?,19-,21+/m0/s1
C21H25NO11467.42333100
68025887

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H25NO11/c1-10(23)22-14-6-8-15(9-7-14)32-21-19(31-13(4)26)17(30-12(3)25)16(29-11(2)24)18(33-21)20(27)28-5/h6-9,16-19,21H,1-5H3,(H,22,23)/t16-,17-,18-,19+,21+/m1/s1
C21H25NO11467.42331100
71116826

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C21H25NO11/c1-10(23)22-14-6-8-15(9-7-14)32-21-19(31-13(4)26)17(30-12(3)25)16(29-11(2)24)18(33-21)20(27)28-5/h6-9,16-19,21H,1-5H3,(H,22,23)/t16-,17+,18?,19?,21+/m0/s1
C21H25NO11467.42331100
128924834

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H25NO11/c1-10(23)22-14-6-8-15(9-7-14)32-21-19(31-13(4)26)17(30-12(3)25)16(29-11(2)24)18(33-21)20(27)28-5/h6-9,16-19,21H,1-5H3,(H,22,23)/t16-,17+,18+,19-,21-/m1/s1
C21H25NO11467.42331100

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