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 14 results

Search term: YLEUWNOTNJZCBN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8262558

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H30O2/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/h1,13,15,17-19,22-23H,5-12H2,2-3H3/t13-,15-,17-,18+,19-,20+,21+/m1/s1
C21H30O2314.4617191900
8015569

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H30O2/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/h1,13,15,17-19,22-23H,5-12H2,2-3H3/t13-,15+,17-,18+,19-,20+,21+/m1/s1
C21H30O2314.4617171600
3493918

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C21H30O2/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/h1,13,15,17-19,22-23H,5-12H2,2-3H3
C21H30O2314.46173100
8556391

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H30O2/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/h1,13,15,17-19,22-23H,5-12H2,2-3H3/t13-,15-,17-,18+,19-,20+,21-/m1/s1
C21H30O2314.46172100
58783170

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C21H30O2/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/h1,13,15,17-19,22-23H,5-12H2,2-3H3/t13-,15+,17-,18+,19-,20+,21+/m1/s1/i2+1D3
C2013CH27D3O2318.47282200
58783491

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C21H30O2/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/h1,13,15,17-19,22-23H,5-12H2,2-3H3/t13-,15-,17-,18+,19-,20+,21+/m1/s1/i2+1D3
C2013CH27D3O2318.47282700
58783504

6 of 7 defined stereocentres - 6/7 defined

Non-standard isotope
InChI=1/C21H30O2/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/h1,13,15,17-19,22-23H,5-12H2,2-3H3/t13-,15?,17-,18+,19-,20+,21+/m1/s1/i5D2,12D2,15D
C21H25D5O2319.49252500
62544005

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H30O2/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/h1,13,15,17-19,22-23H,5-12H2,2-3H3/t13-,15+,17-,18-,19-,20+,21-/m1/s1
C21H30O2314.46172200
78075898

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C21H30O2/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/h1,13,15,17-19,22-23H,5-12H2,2-3H3/t13-,15+,17-,18+,19-,20+,21+/m1/s1/i2D3
C21H27D3O2317.48021100
78075899

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C21H30O2/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/h1,13,15,17-19,22-23H,5-12H2,2-3H3/t13-,15-,17-,18+,19-,20+,21+/m1/s1/i2D3
C21H27D3O2317.48021100
78076638

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H30O2/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/h1,13,15,17-19,22-23H,5-12H2,2-3H3/t13-,15-,17-,18+,19-,20+,21+/m0/s1
C21H30O2314.46171100
78076639

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H30O2/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/h1,13,15,17-19,22-23H,5-12H2,2-3H3/t13-,15+,17-,18+,19-,20+,21+/m0/s1
C21H30O2314.46171100
96316905

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H30O2/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/h1,13,15,17-19,22-23H,5-12H2,2-3H3/t13-,15-,17-,18+,19+,20-,21+/m0/s1
C21H30O2314.46171100

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