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 15 results

Search term: JUNDJWOLDSCTFK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
62152

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H30O3/c1-13(23)20(25)22(3)11-9-19-18-6-4-14-12-15(24)5-7-16(14)17(18)8-10-21(19,22)2/h12-13,18-19,23H,4-11H2,1-3H3/t13-,18+,19-,21-,22+/m0/s1
C22H30O3342.47184437611
59008685

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H30O3/c1-13(23)20(25)22(3)11-9-19-18-6-4-14-12-15(24)5-7-16(14)17(18)8-10-21(19,22)2/h12-13,18-19,23H,4-11H2,1-3H3/t13?,18-,19+,21+,22-/m1/s1
C22H30O3342.47185500
9123095

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H30O3/c1-13(23)20(25)22(3)11-9-19-18-6-4-14-12-15(24)5-7-16(14)17(18)8-10-21(19,22)2/h12-13,18-19,23H,4-11H2,1-3H3/t13-,18-,19+,21+,22-/m1/s1
C22H30O3342.47184200
24541424

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H30O3/c1-13(23)20(25)22(3)11-9-19-18-6-4-14-12-15(24)5-7-16(14)17(18)8-10-21(19,22)2/h12-13,18-19,23H,4-11H2,1-3H3/t13-,18-,19-,21+,22-/m1/s1
C22H30O3342.47184100
58784830

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C22H30O3/c1-13(23)20(25)22(3)11-9-19-18-6-4-14-12-15(24)5-7-16(14)17(18)8-10-21(19,22)2/h12-13,18-19,23H,4-11H2,1-3H3/t13-,18+,19-,21-,22+/m0/s1/i3D3
C22H27D3O3345.49032200
7995184

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C22H30O3/c1-13(23)20(25)22(3)11-9-19-18-6-4-14-12-15(24)5-7-16(14)17(18)8-10-21(19,22)2/h12-13,18-19,23H,4-11H2,1-3H3/t13?,18?,19?,21-,22-/m0/s1
C22H30O3342.47182100
58817501

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H30O3/c1-13(23)20(25)22(3)11-9-19-18-6-4-14-12-15(24)5-7-16(14)17(18)8-10-21(19,22)2/h12-13,18-19,23H,4-11H2,1-3H3/t13-,18+,19-,21?,22+/m0/s1
C22H30O3342.47181100
65793914

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H30O3/c1-13(23)20(25)22(3)11-9-19-18-6-4-14-12-15(24)5-7-16(14)17(18)8-10-21(19,22)2/h12-13,18-19,23H,4-11H2,1-3H3/t13-,18+,19?,21-,22+/m0/s1
C22H30O3342.47181700
75559881

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C22H30O3/c1-13(23)20(25)22(3)11-9-19-18-6-4-14-12-15(24)5-7-16(14)17(18)8-10-21(19,22)2/h12-13,18-19,23H,4-11H2,1-3H3/t13-,18?,19?,21-,22+/m0/s1
C22H30O3342.47181100
107442776

4 of 5 defined stereocentres - 4/5 defined

Non-standard isotope
InChI=1/C22H30O3/c1-13(23)20(25)22(3)11-9-19-18-6-4-14-12-15(24)5-7-16(14)17(18)8-10-21(19,22)2/h12-13,18-19,23H,4-11H2,1-3H3/t13-,18+,19-,21-,22?/m0/s1/i3D3
C22H27D3O3345.49031100
111312093

4 of 5 defined stereocentres - 4/5 defined

Non-standard isotope
InChI=1/C22H30O3/c1-13(23)20(25)22(3)11-9-19-18-6-4-14-12-15(24)5-7-16(14)17(18)8-10-21(19,22)2/h12-13,18-19,23H,4-11H2,1-3H3/t13-,18+,19-,21-,22?/m1/s1/i3D3
C22H27D3O3345.49031100
114553351

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H30O3/c1-13(23)20(25)22(3)11-9-19-18-6-4-14-12-15(24)5-7-16(14)17(18)8-10-21(19,22)2/h12-13,18-19,23H,4-11H2,1-3H3/t13-,18+,19-,21-,22+/m1/s1
C22H30O3342.47181100

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