Matches any text strings used to describe a molecule.
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 42 results

Search term: AODPIQQILQLWGS (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5655

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H34O5/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/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18-,19+,20+,21+/m1/s1
C21H34O5366.4917505700
83726

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H34O5/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/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18+,19-,20-,21-/m0/s1
C21H34O5366.4917475202
13628056

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H34O5/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/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18+,19-,20-,21-/m0/s1
C21H34O5366.4917172100
537828

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C21H34O5/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/h12-16,18,22-24,26H,3-11H2,1-2H3
C21H34O5366.49171121702
58781677

8 of 9 defined stereocentres - 8/9 defined

Non-standard isotope
InChI=1/C21H34O5/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/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18?,19-,20-,21-/m0/s1/i5D2,9D2,11D2
C21H28D6O5372.52865400
389569

2 of 9 defined stereocentres - 2/9 defined
InChI=1/C21H34O5/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/h12-16,18,22-24,26H,3-11H2,1-2H3/t12?,13-,14?,15?,16?,18?,19?,20?,21+/m1/s1
C21H34O5366.49173300
7996287

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C21H34O5/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/h12-16,18,22-24,26H,3-11H2,1-2H3/t12?,13-,14+,15+,16+,18-,19+,20+,21+/m1/s1
C21H34O5366.49172100
8017834

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C21H34O5/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/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13+,14?,15?,16-,18?,19-,20-,21-/m0/s1
C21H34O5366.49172100
29786866

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C21H34O5/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/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18?,19-,20-,21-/m0/s1
C21H34O5366.49172200
62308293

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H34O5/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/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13+,14-,15+,16+,18+,19+,20+,21-/m0/s1
C21H34O5366.49172200
62308307

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H34O5/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/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,18-,19+,20+,21+/m0/s1
C21H34O5366.49172200
62312167

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H34O5/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/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13-,14-,15-,16+,18-,19-,20-,21-/m1/s1
C21H34O5366.49172200
62491944

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H34O5/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/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13+,14+,15+,16-,18+,19-,20-,21-/m0/s1
C21H34O5366.49172200
62491945

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H34O5/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/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13-,14+,15-,16-,18-,19-,20-,21-/m0/s1
C21H34O5366.49172200
62570665

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H34O5/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/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13+,14+,15+,16-,18+,19+,20+,21+/m0/s1
C21H34O5366.49172400
62580561

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H34O5/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/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,18-,19-,20+,21+/m0/s1
C21H34O5366.49172300
62580566

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H34O5/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/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13-,14-,15+,16+,18+,19+,20+,21-/m0/s1
C21H34O5366.49172200
62580567

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H34O5/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/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13-,14-,15+,16+,18+,19-,20+,21-/m0/s1
C21H34O5366.49172200
62580583

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H34O5/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/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-,20-,21-/m0/s1
C21H34O5366.49172300
62591679

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H34O5/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/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13-,14-,15-,16+,18+,19-,20+,21-/m0/s1
C21H34O5366.49172200
123

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