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 43 results

Search term: YWYQTGBBEZQBGO (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
190585

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H36O2/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/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15+,16-,17+,18-,19-,20-,21+/m0/s1
C21H36O2320.509358161094
144360

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H36O2/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/h13-19,22-23H,4-12H2,1-3H3/t13-,14-,15+,16-,17+,18-,19-,20-,21+/m0/s1
C21H36O2320.5093384300
91951

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H36O2/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/h13-19,22-23H,4-12H2,1-3H3/t13-,14-,15-,16-,17+,18-,19-,20-,21+/m0/s1
C21H36O2320.5093272900
4954912

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H36O2/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/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15+,16+,17-,18+,19+,20+,21-/m1/s1
C21H36O2320.5093252700
91751

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H36O2/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/h13-19,22-23H,4-12H2,1-3H3/t13-,14-,15-,16+,17-,18+,19+,20+,21-/m1/s1
C21H36O2320.5093201900
18838221

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H36O2/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/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15-,16+,17-,18+,19+,20+,21-/m1/s1
C21H36O2320.5093151500
107182

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C21H36O2/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/h13-19,22-23H,4-12H2,1-3H3/t13-,14?,15+,16-,17+,18-,19-,20-,21+/m0/s1
C21H36O2320.5093142900
48063906

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H36O2/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/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15-,16-,17+,18-,19-,20-,21+/m0/s1
C21H36O2320.5093111100
19952138

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C21H36O2/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/h13-19,22-23H,4-12H2,1-3H3/t13?,14-,15+,16+,17-,18+,19+,20+,21-/m1/s1
C21H36O2320.509391000
58785782

8 of 9 defined stereocentres - 8/9 defined

Non-standard isotope
InChI=1/C21H36O2/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/h13-19,22-23H,4-12H2,1-3H3/t13?,14-,15-,16+,17-,18+,19+,20+,21-/m1/s1/i1D3,13D,17D
C21H31D5O2325.54015600
1413116

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H36O2/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/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15-,16+,17+,18+,19+,20+,21-/m1/s1
C21H36O2320.50934300
8080823

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C21H36O2/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/h13-19,22-23H,4-12H2,1-3H3/t13-,14-,15+,16-,17?,18-,19-,20-,21+/m0/s1
C21H36O2320.50934300
10254554

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C21H36O2/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/h13-19,22-23H,4-12H2,1-3H3/t13?,14-,15-,16-,17+,18-,19-,20-,21+/m0/s1
C21H36O2320.50933250
8534115

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C21H36O2/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/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15-,16+,17?,18+,19+,20+,21-/m1/s1
C21H36O2320.50932100
8556809

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C21H36O2/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/h13-19,22-23H,4-12H2,1-3H3/t13-,14-,15-,16+,17?,18+,19+,20+,21-/m1/s1
C21H36O2320.50932100
9769669

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C21H36O2/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/h13-19,22-23H,4-12H2,1-3H3/t13-,14-,15+,16+,17?,18+,19+,20+,21-/m1/s1
C21H36O2320.50932100
10061337

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H36O2/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/h13-19,22-23H,4-12H2,1-3H3/t13-,14-,15-,16+,17-,18-,19+,20-,21+/m0/s1
C21H36O2320.50932100
10061338

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H36O2/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/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15+,16-,17+,18+,19-,20+,21-/m1/s1
C21H36O2320.50932100
10061339

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H36O2/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/h13-19,22-23H,4-12H2,1-3H3/t13-,14-,15-,16+,17+,18-,19+,20-,21+/m0/s1
C21H36O2320.50932100
10061340

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H36O2/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/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15+,16-,17-,18+,19-,20+,21-/m1/s1
C21H36O2320.50932100
123

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