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
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Found 29 results

Search term: JGMOKGBVKVMRFX (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8699

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m0/s1
C21H28O2312.4458991033341
92140

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
C21H28O2312.445870512027
3069

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3
C21H28O2312.44581625000
1264794

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17-,18-,19+,20+,21+/m0/s1
C21H28O2312.4458101100
17464862

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18?,19+,20+,21+/m0/s1
C21H28O2312.44587300
406266

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20?,21+/m0/s1
C21H28O2312.44583300
107441843

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m0/s1/i1D3,8D2,17D
C21H22D6O2318.48283600
58783037

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m0/s1/i1D3,4D,5D,8D2,12D,17D
C21H19D9O2321.50132200
62633428

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17-,18+,19+,20+,21+/m1/s1
C21H28O2312.44582200
77498398

5 of 6 defined stereocentres - 5/6 defined

Non-standard isotope
InChI=1/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17?,18-,19+,20+,21+/m0/s1/i1D3,8D2,17D
C21H22D6O2318.48282200
1387731

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17-,18+,19+,20+,21+/m0/s1
C21H28O2312.44582100
5036529

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17-,18+,19-,20+,21-/m0/s1
C21H28O2312.44582200
10049606

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m0/s1
C21H28O2312.44582100
107443539

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18+,19+,20-,21+/m0/s1
C21H28O2312.44581100
107444109

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18+,19?,20-,21+/m0/s1
C21H28O2312.44581300
110092769

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m1/s1
C21H28O2312.44581100
110102457

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m1/s1
C21H28O2312.44581200
111312227

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20-,21+/m1/s1
C21H28O2312.44581100
114547147

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19-,20-,21-/m0/s1
C21H28O2312.44581100
12

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