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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 31 results

Search term: BDCURAWBZJMFIK (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
390361

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21?,22+,23+,24-/m1/s1
C24H39NO5421.5702221700
140575

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3
C24H39NO5421.570291000
30783502

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21?,22-,23+,24-/m1/s1
C24H39NO5421.570281000
21533499

8 of 12 defined stereocentres - 8/12 defined
InChI=1/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14?,15+,16+,17?,18+,19?,20+,21?,22+,23+,24-/m1/s1
C24H39NO5421.57026200
57256853

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1
C24H39NO5421.57025300
62903121

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1
C24H39NO5421.57024300
21781533

5 of 12 defined stereocentres - 5/12 defined
InChI=1/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13?,14?,15?,16-,17?,18-,19?,20-,21?,22-,23-,24?/m0/s1
C24H39NO5421.57024200
25084798

9 of 12 defined stereocentres - 9/12 defined
InChI=1/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14?,15+,16+,17?,18+,19?,20+,21-,22+,23+,24-/m1/s1
C24H39NO5421.57023100
31115644

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15-,16+,17-,18+,19-,20+,21?,22+,23+,24-/m1/s1
C24H39NO5421.57022200
4479291

3 of 12 defined stereocentres - 3/12 defined
InChI=1/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13?,14?,15?,16-,17?,18?,19?,20?,21?,22-,23-,24?/m0/s1
C24H39NO5421.57022200
8269198

6 of 12 defined stereocentres - 6/12 defined
InChI=1/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14?,15-,16?,17?,18+,19?,20?,21?,22+,23+,24-/m1/s1
C24H39NO5421.57022100
10143203

7 of 12 defined stereocentres - 7/12 defined
InChI=1/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13?,14-,15+,16?,17-,18?,19-,20?,21+,22+,23+,24?/m1/s1
C24H39NO5421.57022200
17460134

7 of 12 defined stereocentres - 7/12 defined
InChI=1/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14?,15+,16+,17?,18+,19?,20?,21?,22+,23+,24-/m1/s1
C24H39NO5421.57022100
110804182

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22-,23-,24+/m1/s1
C24H39NO5421.57022200
113611521

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16-,17-,18-,19-,20-,21+,22-,23+,24-/m1/s1
C24H39NO5421.57021100
114544927

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18+,19-,20+,21-,22+,23+,24-/m0/s1
C24H39NO5421.57021100
114814085

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14+,15+,16+,17+,18+,19+,20-,21?,22-,23+,24-/m1/s1
C24H39NO5421.57021100
114967266

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24+/m1/s1
C24H39NO5421.57021100
57486813

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23+,24-/m1/s1
C24H39NO5421.57021100
58839506

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14+,15-,16-,17+,18+,19+,20+,21-,22-,23+,24?/m0/s1
C24H39NO5421.57021100
12

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