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 11 results

Search term: WAOKMNBZWBGYIK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
18532860

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,12-13,16-19,23H,5-11H2,2-3H3/t13-,16+,17-,18+,19-,20+,21+/m1/s1
C21H28O2312.4458111800
251524

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,12-13,16-19,23H,5-11H2,2-3H3
C21H28O2312.44586400
173297

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,12-13,16-19,23H,5-11H2,2-3H3/t13-,16+,17-,18+,19-,20+,21?/m1/s1
C21H28O2312.44583300
58835591

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,12-13,16-19,23H,5-11H2,2-3H3/t13?,16-,17+,18-,19+,20-,21?/m0/s1
C21H28O2312.44583200
77499218

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,12-13,16-19,23H,5-11H2,2-3H3/t13-,16+,17-,18+,19?,20+,21+/m1/s1
C21H28O2312.44582200
58784860

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,12-13,16-19,23H,5-11H2,2-3H3/t13-,16+,17-,18+,19-,20+,21+/m1/s1/i2+1D3
C2013CH25D3O2316.4572500
7993993

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,12-13,16-19,23H,5-11H2,2-3H3/t13-,16?,17-,18+,19-,20+,21+/m1/s1
C21H28O2312.44582100
8239670

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,12-13,16-19,23H,5-11H2,2-3H3/t13-,16?,17-,18+,19-,20+,21-/m1/s1
C21H28O2312.44582100
23108226

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,12-13,16-19,23H,5-11H2,2-3H3/t13-,16?,17?,18?,19?,20+,21+/m1/s1
C21H28O2312.44582100
29788265

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,12-13,16-19,23H,5-11H2,2-3H3/t13?,16-,17?,18?,19+,20-,21?/m0/s1
C21H28O2312.44581100
78429942

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,12-13,16-19,23H,5-11H2,2-3H3/t13?,16-,17+,18-,19-,20-,21?/m0/s1
C21H28O2312.44581100

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