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: CHNXZKVNWQUJIB (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4447612

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
C21H28O2312.4458101109380316114
16739914

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21-/m1/s1
C21H28O2312.44588301
21331913

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19?,20?,21+/m1/s1
C21H28O2312.44586500
5036540

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18-,19-,20-,21-/m1/s1
C21H28O2312.44583300
10064443

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20-,21+/m1/s1
C21H28O2312.44583200
5417028

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17-,18-,19+,20+,21+/m1/s1
C21H28O2312.44583200
10043777

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18-,19-,20-,21+/m1/s1
C21H28O2312.44582100
10043778

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18-,19+,20-,21+/m1/s1
C21H28O2312.44582100
10043779

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17-,18+,19+,20+,21-/m0/s1
C21H28O2312.44582100
10043780

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17-,18+,19-,20+,21-/m0/s1
C21H28O2312.44582100
10059911

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18-,19+,20+,21+/m1/s1
C21H28O2312.44582100
10059912

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17-,18+,19-,20-,21-/m0/s1
C21H28O2312.44582100
10059913

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19-,20-,21-/m0/s1
C21H28O2312.44582100
10064444

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19-,20+,21+/m1/s1
C21H28O2312.44582100
5353637

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17-,18+,19-,20-,21+/m0/s1
C21H28O2312.44582100
571372

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19-,20-,21+/m1/s1
C21H28O2312.44582100
1174152

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18-,19-,20+,21+/m0/s1
C21H28O2312.44582100
1174153

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18-,19+,20+,21+/m0/s1
C21H28O2312.44582100
1174154

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
C21H28O2312.44582100
1174156

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18-,19+,20-,21+/m0/s1
C21H28O2312.44582100
12

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