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 47 results

Search term: OIGNJSKKLXVSLS (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5552


7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O5/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/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
C21H28O5360.44413119718043113
9420378

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H28O5/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/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16?,18+,19-,20-,21-/m0/s1
C21H28O5360.444321107723
4642484

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C21H28O5/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/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14?,15?,16-,18?,19-,20-,21-/m0/s1
C21H28O5360.444121217921110
18685222

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O5/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/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16+,18+,19-,20-,21-/m0/s1
C21H28O5360.444101000
2280531

1 of 7 defined stereocentres - 1/7 defined
InChI=1/C21H28O5/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/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14?,15?,16?,18?,19?,20?,21-/m0/s1
C21H28O5360.444025200
10039786

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O5/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/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15+,16-,18+,19-,20+,21+/m1/s1
C21H28O5360.4444300
10145950

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O5/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/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15+,16+,18+,19+,20+,21-/m0/s1
C21H28O5360.4443300
23975966

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H28O5/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/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18?,19-,20-,21-/m0/s1
C21H28O5360.4443100
58785027

6 of 7 defined stereocentres - 6/7 defined

Non-standard isotope
InChI=1/C21H28O5/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/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14?,15-,16-,18+,19-,20-,21-/m0/s1/i3D2,5D,9D,10D2,16D,18D
C21H20D8O5368.49332400
62298862

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O5/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/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16+,18-,19+,20-,21+/m0/s1
C21H28O5360.4442200
62298863

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O5/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/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18-,19+,20+,21+/m0/s1
C21H28O5360.4442200
62298868

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O5/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/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15+,16+,18+,19+,20+,21+/m1/s1
C21H28O5360.4442200
62298884

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O5/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/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21+/m1/s1
C21H28O5360.4442200
21498560

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C21H28O5/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/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15?,16-,18?,19-,20-,21?/m0/s1
C21H28O5360.4442100
8082560

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C21H28O5/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/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16?,18+,19?,20-,21-/m0/s1
C21H28O5360.4442100
839557

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O5/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/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15+,16+,18+,19-,20+,21-/m0/s1
C21H28O5360.4442100
10039783

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O5/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/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15+,16+,18+,19-,20-,21+/m1/s1
C21H28O5360.4442100
10039784

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O5/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/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15+,16+,18+,19-,20+,21+/m1/s1
C21H28O5360.4442100
10039785

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O5/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/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15+,16-,18+,19-,20-,21+/m1/s1
C21H28O5360.4442100
123

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