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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 27 results

Search term: SYGWGHVTLUBCEM (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5657

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14+,15+,18-,19+,20+,21+/m1/s1
C21H32O5364.47584555244196
91946

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13+,14-,15-,18+,19-,20-,21-/m0/s1
C21H32O5364.4758262707
16735652

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14-,15-,18+,19-,20-,21-/m0/s1
C21H32O5364.4758171900
48063930

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14+,15+,18-,19+,20+,21+/m1/s1/i10D2,11D2,18D
C21H27D5O5369.50666900
5142784

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14?,15?,18?,19+,20+,21+/m1/s1
C21H32O5364.47585300
389568

2 of 8 defined stereocentres - 2/8 defined
InChI=1/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12?,13-,14?,15?,18?,19?,20?,21+/m1/s1
C21H32O5364.47584300
77499272

7 of 8 defined stereocentres - 7/8 defined

Non-standard isotope
InChI=1/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14+,15+,18-,19+,20?,21-/m1/s1/i5D2,9D2,11D2
C21H26D6O5370.51284400
22889282

2 of 8 defined stereocentres - 2/8 defined
InChI=1/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13?,14?,15?,18?,19?,20?,21-/m0/s1
C21H32O5364.47583100
58785453

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14+,15+,18-,19+,20+,21+/m1/s1/i5D2,9D2,11D2
C21H26D6O5370.51283500
62420819

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14-,15-,18-,19+,20+,21+/m1/s1
C21H32O5364.47582200
62611093

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14+,15-,18-,19+,20+,21+/m1/s1
C21H32O5364.47582200
68026175

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14+,15+,18-,19+,20+,21+/m1/s1/i18D
C21H31DO5365.48192300
58785030

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13+,14+,15+,18-,19+,20+,21+/m1/s1
C21H32O5364.47582200
78075936

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14+,15+,18-,19+,20+,21+/m0/s1/i5D2,9D2
C21H28D4O5368.50041100
78076722

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13+,14-,15-,18+,19-,20-,21-/m1/s1
C21H32O5364.47581100
78076723

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14+,15+,18-,19+,20+,21+/m0/s1
C21H32O5364.47581100
78076725

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13?,14+,15+,18-,19+,20+,21+/m0/s1
C21H32O5364.47581100
107442373

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13+,14+,15+,18-,19+,20?,21-/m1/s1
C21H32O5364.47581300
107449304

7 of 8 defined stereocentres - 7/8 defined

Non-standard isotope
InChI=1/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13+,14+,15+,18-,19+,20?,21-/m1/s1/i5D2,9D2,11D2
C21H26D6O5370.51281200
128918830

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13+,14+,15+,18-,19+,20+,21+/m1/s1/i5D2,9D2
C21H28D4O5368.50041200
12

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