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 25 results

Search term: MCKJPJYRCPANCC (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5442258

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/t13-,14-,15-,16+,18-,19-,20-/m0/s1
C20H26O5346.4174263000
22875233

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/t13-,14?,15-,16?,18-,19-,20-/m0/s1
C20H26O5346.41748400
34996726

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/t13-,14-,15-,16+,18-,19-,20+/m0/s1
C20H26O5346.41745600
77499273

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/t13-,14-,15-,16?,18-,19-,20-/m0/s1
C20H26O5346.41743200
58785016

6 of 7 defined stereocentres - 6/7 defined

Non-standard isotope
InChI=1/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/t13?,14-,15-,16+,18-,19-,20-/m0/s1/i3D2,5D,9D,10D2,15D,16D
C20H18D8O5354.46672200
1398328

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/t13-,14+,15+,16-,18-,19+,20-/m0/s1
C20H26O5346.41742100
1398331

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/t13-,14-,15+,16-,18-,19+,20-/m0/s1
C20H26O5346.41742100
1398333

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/t13-,14+,15+,16+,18-,19+,20-/m0/s1
C20H26O5346.41742100
1398335

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/t13-,14-,15+,16+,18-,19+,20-/m0/s1
C20H26O5346.41742100
3029272

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)
C20H26O5346.417442100
5442252

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/t13-,14+,15-,16-,18-,19-,20-/m0/s1
C20H26O5346.41742100
5442254

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/t13-,14+,15-,16+,18-,19-,20-/m0/s1
C20H26O5346.41742100
5442256

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/t13-,14-,15-,16-,18-,19-,20-/m0/s1
C20H26O5346.41742100
5442257

Charge

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/p-1/t13-,14-,15-,16+,18-,19-,20-/m0/s1
C20H25O5345.411100
5442255

Charge

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/p-1/t13-,14-,15-,16-,18-,19-,20-/m0/s1
C20H25O5345.411100
5442253

Charge

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/p-1/t13-,14+,15-,16+,18-,19-,20-/m0/s1
C20H25O5345.411100
17467000

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/t13-,14?,15?,16?,18-,19-,20-/m0/s1
C20H26O5346.41741100
111312040

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/t13-,14-,15-,16?,18-,19-,20-/m1/s1
C20H26O5346.41741100
113598242

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/t13-,14?,15-,16?,18-,19-,20-/m1/s1
C20H26O5346.41741100
113601387

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/t13-,14-,15-,16+,18-,19-,20-/m1/s1
C20H26O5346.41741100
12

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