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 30 results

Search term: SEKYBDYVXDAYPY (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9222224

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13-,14-,15-,16+,18+,19-,20-,21-/m0/s1
C21H28O6376.4434545400
18523646

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13-,14-,15?,16+,18+,19-,20-,21-/m0/s1
C21H28O6376.4434241400
77257

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3
C21H28O6376.443413500
28294664

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18+,19-,20-,21-/m0/s1
C21H28O6376.44348400
28424138

3 of 8 defined stereocentres - 3/8 defined
InChI=1/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13?,14?,15?,16-,18?,19+,20+,21?/m1/s1
C21H28O6376.44343100
77499205

6 of 8 defined stereocentres - 6/8 defined

Non-standard isotope
InChI=1/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13-,14-,15?,16+,18+,19?,20-,21-/m0/s1/i9D2,15D
C21H25D3O6379.46193300
8243651

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13?,14?,15-,16+,18?,19-,20-,21-/m0/s1
C21H28O6376.44342100
58784561

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13-,14-,15-,16+,18+,19-,20-,21-/m0/s1/i9D2,15D
C21H25D3O6379.46192200
58784859

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13-,14-,15-,16-,18+,19-,20-,21-/m0/s1
C21H28O6376.44342300
62419529

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13-,14-,15+,16+,18-,19-,20-,21+/m1/s1
C21H28O6376.44342200
62419530

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13-,14-,15-,16+,18-,19-,20-,21+/m1/s1
C21H28O6376.44342200
62674343

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13-,14+,15+,16+,18+,19-,20+,21+/m1/s1
C21H28O6376.44342200
67153453

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13-,14-,15-,16?,18+,19-,20-,21+/m0/s1
C21H28O6376.44341100
58784858

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13-,14-,15-,16+,18+,19-,20-,21-/m0/s1/i9D2,10D2,15D
C21H23D5O6381.47421100
107441805

7 of 8 defined stereocentres - 7/8 defined

Non-standard isotope
InChI=1/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13-,14-,15-,16+,18+,19?,20-,21-/m0/s1/i9D2,10D2,15D
C21H23D5O6381.47421100
107441985

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13-,14-,15-,16-,18+,19?,20-,21-/m0/s1
C21H28O6376.44341100
107442116

7 of 8 defined stereocentres - 7/8 defined

Non-standard isotope
InChI=1/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13-,14-,15-,16+,18+,19?,20-,21-/m0/s1/i9D2,15D
C21H25D3O6379.46191300
107445568

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13-,14+,15-,16-,18-,19-,20-,21+/m0/s1
C21H28O6376.44341500
113606632

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18+,19+,20-,21+/m1/s1
C21H28O6376.44341100
12

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