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 28 results

Search term: FRQMUZJSZHZSGN (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10185

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1
C22H32O3344.487787147501828
23976805

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1/i1D3
C22H29D3O3347.5062161300
471209

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3
C22H32O3344.4877111000
17466946

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17?,18?,20+,21-,22-/m0/s1
C22H32O3344.48778400
176204

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13?,16-,17+,18+,20-,21+,22+/m1/s1
C22H32O3344.48775500
21240746

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22+/m0/s1
C22H32O3344.48772200
57268826

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16-,17+,18+,20-,21+,22+/m1/s1
C22H32O3344.48772100
114392490

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1/i2D3,5D2,12D,13D
C22H25D7O3351.53082200
580868

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16-,17-,18+,20-,21+,22-/m1/s1
C22H32O3344.48772100
1397723

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16-,17+,18-,20-,21+,22-/m1/s1
C22H32O3344.48772100
1397724

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16-,17-,18-,20-,21+,22-/m1/s1
C22H32O3344.48772100
1397725

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16-,17+,18+,20-,21+,22-/m1/s1
C22H32O3344.48772100
5442213

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17+,18-,20+,21-,22-/m0/s1
C22H32O3344.48772100
5442215

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17+,18+,20+,21-,22-/m0/s1
C22H32O3344.48772100
10050444

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18+,20+,21-,22-/m0/s1
C22H32O3344.48772100
114392491

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1/i1+1D3
C2113CH29D3O3348.49881100
128945203

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17+,18+,20+,21-,22-/m0/s1/i1D3
C22H29D3O3347.50621100
12

Advertisement