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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: PQSUYGKTWSAVDQ (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5633

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
C21H28O5360.44410413425901131
454792

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3
C21H28O5360.444121100
25021309

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16-,17-,19+,20-,21+/m0/s1
C21H28O5360.4448800
58781595

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1/i2D2,6D2,8D,10D2
C21H21D7O5367.48725700
28637998

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1/i2D2,6D2,8D,10D2,16D
C21H20D8O5368.49334400
77499404

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19?,20-,21+/m0/s1
C21H28O5360.4443200
107448435

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1/i6+1,8+1,13+1
C1813C3H28O5363.4222200
58780586

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1/i9D2,17D,19D
C21H24D4O5364.46872200
26563688

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15+,16-,17-,19-,20-,21-/m0/s1
C21H28O5360.4442100
4476122

1 of 7 defined stereocentres - 1/7 defined
InChI=1/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14?,15?,16?,17-,19?,20?,21?/m0/s1
C21H28O5360.4442200
8265463

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15?,16+,17-,19?,20-,21?/m0/s1
C21H28O5360.4442100
34978248

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m1/s1
C21H28O5360.4441100
34978260

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15+,16+,17+,19+,20+,21+/m0/s1/i2D2,6D2,8D,10D2,16D
C21H20D8O5368.49331100
58817388

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21?/m0/s1
C21H28O5360.4441100
110803683

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1/i2D2,3D,6D2,7D2,8D/t3?,14-,15-,16+,17-,19+,20-,21+
C21H20D8O5368.49331100
111310620

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m1/s1/i6+1,8+1,13+1
C1813C3H28O5363.4221100
114393950

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17+,19+,20+,21+/m1/s1
C21H28O5360.4441100
12

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