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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: ACSFOIGNUQUIGE (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
144508

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/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12-,14+,15+,16+,18-,19+,20+,21+/m1/s1
C21H32O5364.4758354101
16735853

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/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12-,14-,15-,16-,18+,19-,20-,21-/m0/s1
C21H32O5364.4758273208
196281

0 of 8 defined stereocentres - 0/8 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/h12,14-16,18,22,24,26H,3-11H2,1-2H3
C21H32O5364.475883000
19989896

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/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12?,14-,15-,16-,18+,19-,20-,21-/m0/s1
C21H32O5364.47586830
19953426

6 of 8 defined stereocentres - 6/8 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/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12?,14-,15-,16?,18+,19-,20-,21-/m0/s1
C21H32O5364.47584300
29367296

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/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12?,14-,15-,16-,18+,19-,20-,21+/m0/s1
C21H32O5364.47584300
103848008

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/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12-,14+,15+,16+,18-,19+,20+,21+/m1/s1/i5D2,9D2,11D2
C21H26D6O5370.51283400
22889284

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/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12-,14?,15?,16?,18?,19?,20?,21-/m0/s1
C21H32O5364.47583100
8197269

4 of 8 defined stereocentres - 4/8 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/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12?,14?,15?,16-,18?,19-,20-,21-/m0/s1
C21H32O5364.47583300
10147

1 of 8 defined stereocentres - 1/8 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/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12?,14?,15?,16?,18?,19?,20?,21-/m0/s1
C21H32O5364.47583200
8649388

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/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12-,14?,15?,16-,18?,19-,20-,21-/m0/s1
C21H32O5364.47582100
8061096

4 of 8 defined stereocentres - 4/8 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/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12-,14?,15?,16?,18?,19-,20-,21-/m0/s1
C21H32O5364.47582100
62611089

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/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12-,14+,15+,16+,18+,19+,20+,21-/m0/s1
C21H32O5364.47582200
62667898

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/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12-,14-,15+,16+,18+,19-,20+,21-/m0/s1
C21H32O5364.47582200
62667904

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/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12-,14-,15-,16-,18-,19+,20-,21-/m1/s1
C21H32O5364.47582200
62391126

0 of 8 defined stereocentres - 0/8 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/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12-,14-,15-,16-,18-,19-,20-,21-/m1/s1
C21H32O5364.47581100
111311450

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/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12-,14+,15-,16+,18+,19+,20+,21-/m0/s1
C21H32O5364.47581100
114546993

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/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12-,14+,15+,16+,18-,19+,20+,21-/m1/s1
C21H32O5364.47581100
114547158

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/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12-,14-,15-,16-,18+,19-,20-,21+/m0/s1
C21H32O5364.47581100
12

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