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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 21 results

Search term: ZESRJSPZRDMNHY (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5932

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/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/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
C21H30O3330.461110914558136
194204

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C21H30O3/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/h11,15-18,22H,3-10,12H2,1-2H3
C21H30O3330.461116243700
4475589

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C21H30O3/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/h11,15-18,22H,3-10,12H2,1-2H3/t15?,16?,17?,18-,20+,21+/m1/s1
C21H30O3330.46115600
74854239

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C21H30O3/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/h11,15-18,22H,3-10,12H2,1-2H3/t15?,16?,17?,18-,20?,21?/m1/s1
C21H30O3330.46114400
77499023

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H30O3/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/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16+,17-,18-,20+,21+/m1/s1/i3D2,7D2,11D,12D2
C21H23D7O3337.50424600
21337964

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C21H30O3/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/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20?,21?/m0/s1
C21H30O3330.46114300
5036495

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/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/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16+,17-,18-,20+,21+/m0/s1
C21H30O3330.46113300
68026176

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H30O3/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/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1/i18D
C21H29DO3331.46732300
58780810

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H30O3/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/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1/i3D2,7D2,11D,12D2
C21H23D7O3337.50422200
580856

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/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/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16+,17-,18+,20-,21+/m0/s1
C21H30O3330.46112100
1169895

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/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/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16+,17-,18+,20+,21-/m0/s1
C21H30O3330.46112100
1169896

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/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/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16+,17-,18+,20+,21+/m0/s1
C21H30O3330.46112100
1169897

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/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/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16+,17-,18+,20-,21-/m0/s1
C21H30O3330.46112100
58817964

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H30O3/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/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21?/m0/s1
C21H30O3330.46111100
64872694

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/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/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m1/s1
C21H30O3330.46111100
107441981

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H30O3/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/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16+,17-,18-,20+,21+/m1/s1/i3D2,7D2,11D,12D2,18D
C21H22D8O3338.51041300
111312871

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H30O3/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/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16+,17-,18-,20+,21+/m0/s1/i3D2,7D2,11D,12D2
C21H23D7O3337.50421100
12

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