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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 29 results

Search term: CYKYBWRSLLXBOW (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
91953

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1
C21H34O3334.492961701252
8149754

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14-,15+,16+,17+,18-,20+,21+/m1/s1
C21H34O3334.4929283420
10051803

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14-,15-,16-,17-,18+,20-,21-/m0/s1
C21H34O3334.4929262800
238227

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3
C21H34O3334.49291010165
82600

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14?,15+,16+,17+,18-,20+,21+/m1/s1
C21H34O3334.49296600
10131903

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15?,16?,17?,18+,20-,21-/m0/s1
C21H34O3334.49295400
115009198

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1/i12D2,18D
C21H31D3O3337.51133300
5036272

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14-,15+,16-,17+,18-,20-,21-/m0/s1
C21H34O3334.49293300
8301367

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15+,16+,17+,18?,20+,21+/m1/s1
C21H34O3334.49292100
58785445

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14-,15+,16+,17+,18-,20+,21+/m1/s1/i7D2,11D2,14D
C21H29D5O3339.52372200
58785605

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14-,15-,16-,17-,18+,20-,21-/m0/s1/i7D2,11D2
C21H30D4O3338.51752300
62532761

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14-,15+,16-,17-,18+,20+,21+/m0/s1
C21H34O3334.49292200
62993043

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14-,15+,16+,17+,18-,20+,21+/m1/s1/i12D2,18D
C21H31D3O3337.51132100
68702962

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13?,14?,15-,16-,17-,18+,20-,21-/m0/s1
C21H34O3334.49292100
107443479

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15+,16-,17-,18-,20+,21+/m1/s1
C21H34O3334.49291200
107448546

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1/i7D2,11D2,14D
C21H29D5O3339.52371100
110803724

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20+,21+/m0/s1
C21H34O3334.49291100
111314267

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14-,15+,16+,17+,18-,20+,21+/m0/s1/i7D2,11D2,14D
C21H29D5O3339.52371100
113600683

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14-,15-,16-,17-,18+,20-,21-/m1/s1
C21H34O3334.49291100
114815453

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15+,16-,17-,18+,20+,21+/m1/s1
C21H34O3334.49291100
12

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