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 31 results

Search term: JERGUCIJOXJXHF (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
82579

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1
C21H32O3332.477656800
18511746

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15?,16-,17+,18+,19+,20+,21+/m1/s1
C21H32O3332.4772528000
23630262

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1/i1D3
C21H29D3O3335.4955171800
217096

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3
C21H32O3332.477154006
28293580

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16-,17+,18+,19+,20+,21+/m1/s1
C21H32O3332.4775200
2029608

1 of 7 defined stereocentres - 1/7 defined
InChI=1/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15?,16?,17?,18?,19?,20?,21-/m1/s1
C21H32O3332.476984400
389473

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18?,19-,20-,21-/m0/s1
C21H32O3332.4773200
21502683

1 of 7 defined stereocentres - 1/7 defined
InChI=1/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15?,16?,17?,18?,19?,20?,21-/m0/s1
C21H32O3332.4772200
44750243

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21?/m0/s1
C21H32O3332.4772100
74849351

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1/i11D2
C21H30D2O3334.48932200
8421962

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1/i1D3,22+2
C21H29D3O218O337.49522200
8422023

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1/i1T3
C21H29T3O3338.50132200
8720460

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1/i1D3,6D2,12D2
C21H25D7O3339.52012200
10042292

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1
C21H32O3332.4772100
10042293

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16-,17+,18+,19-,20-,21+/m0/s1
C21H32O3332.4772100
10042294

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20+,21+/m0/s1
C21H32O3332.4772100
10042295

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16-,17+,18+,19-,20+,21+/m0/s1
C21H32O3332.4772100
27472819

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18+,19+,20+,21-/m1/s1
C21H32O3332.4772100
115009108

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1/i1+1,11D2,13+1
C1913C2H30D2O3336.47461100
12

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