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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
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Found 23 results

Search term: LKQDFQLSEHWIRK (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
91955

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O3/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/h14-18,23-24H,4-12H2,1-3H3/t14-,15-,16-,17+,18+,19+,20+,21+/m1/s1
C21H34O3334.4929312700
99828

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O3/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/h14-18,23-24H,4-12H2,1-3H3/t14-,15+,16+,17-,18-,19-,20-,21-/m0/s1
C21H34O3334.4929202530
2297329

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O3/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/h14-18,23-24H,4-12H2,1-3H3/t14-,15-,16+,17-,18-,19-,20-,21-/m0/s1
C21H34O3334.4929172301
467703

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C21H34O3/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/h14-18,23-24H,4-12H2,1-3H3
C21H34O3334.4929123500
142600

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C21H34O3/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/h14-18,23-24H,4-12H2,1-3H3/t14?,15?,16-,17+,18+,19+,20+,21+/m1/s1
C21H34O3334.492961508
198871

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O3/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/h14-18,23-24H,4-12H2,1-3H3/t14-,15+,16-,17+,18+,19+,20+,21+/m1/s1
C21H34O3334.49295400
10070347

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O3/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/h14-18,23-24H,4-12H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-,21-/m0/s1
C21H34O3334.49293200
10070348

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O3/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/h14-18,23-24H,4-12H2,1-3H3/t14-,15-,16-,17+,18+,19-,20-,21+/m0/s1
C21H34O3334.49293200
10070349

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O3/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/h14-18,23-24H,4-12H2,1-3H3/t14-,15-,16-,17+,18+,19-,20-,21-/m0/s1
C21H34O3334.49292100
28432102

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O3/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/h14-18,23-24H,4-12H2,1-3H3/t14-,15-,16-,17+,18+,19+,20+,21-/m1/s1
C21H34O3334.492862200
62502466

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O3/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/h14-18,23-24H,4-12H2,1-3H3/t14-,15-,16-,17+,18-,19-,20+,21-/m0/s1
C21H34O3334.49292200
62502467

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O3/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/h14-18,23-24H,4-12H2,1-3H3/t14-,15-,16-,17+,18+,19-,20+,21-/m0/s1
C21H34O3334.49292200
62502488

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O3/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/h14-18,23-24H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1
C21H34O3334.49292400
62543984

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O3/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/h14-18,23-24H,4-12H2,1-3H3/t14-,15+,16-,17+,18+,19-,20+,21-/m0/s1
C21H34O3334.49292200
1267452

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O3/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/h14-18,23-24H,4-12H2,1-3H3/t14-,15+,16-,17+,18+,19+,20+,21-/m1/s1
C21H34O3334.49292100
8647499

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C21H34O3/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/h14-18,23-24H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19-,20-,21-/m0/s1
C21H34O3334.49292100
10070346

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O3/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/h14-18,23-24H,4-12H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1
C21H34O3334.49292100
111310381

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O3/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/h14-18,23-24H,4-12H2,1-3H3/t14-,15-,16+,17-,18-,19-,20-,21-/m1/s1
C21H34O3334.49291100
21253993

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H34O3/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/h14-18,23-24H,4-12H2,1-3H3/t14-,15-,16+,17-,18-,19-,20-,21+/m0/s1
C21H34O3334.49291100
12

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