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 31 results

Search term: XOFYZVNMUHMLCC (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5656


6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
C21H26O5358.4281134129011921671
4731

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3
C21H26O5358.42812538902
2280530

1 of 6 defined stereocentres - 1/6 defined
InChI=1/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14?,15?,18?,19?,20?,21-/m0/s1
C21H26O5358.428149600
58785473

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1/i3D2,5D,9D,10D2,18D
C21H19D7O5365.471381000
17961186

1 of 6 defined stereocentres - 1/6 defined
InChI=1/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14?,15?,18?,19?,20-,21?/m0/s1
C21H26O5358.42816400
58785047

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1/i3D,5D,9D,10D2,11D2,18D/t3?,14-,15-,18+,19-,20-,21-
C21H18D8O5366.47744600
5036483

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15+,18+,19+,20+,21-/m0/s1
C21H26O5358.42813300
77499024

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1/i5D,9D,10D2,11D2
C21H20D6O5364.46513300
62480663

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15+,18-,19-,20-,21-/m1/s1
C21H26O5358.42812200
62605689

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15+,18+,19-,20+,21-/m1/s1
C21H26O5358.42812200
10082751

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20+,21-/m1/s1
C21H26O5358.42812100
819361

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15+,18+,19-,20+,21-/m0/s1
C21H26O5358.42812100
1068001

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15+,18-,19+,20-,21-/m0/s1
C21H26O5358.42812100
21498561

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15?,18?,19-,20-,21?/m0/s1
C21H26O5358.42812100
111314268

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m1/s1/i3D2,5D,9D,10D2,18D
C21H19D7O5365.47131100
113607523

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19+,20-,21+/m1/s1
C21H26O5358.42811100
114391446

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15+,18+,19-,20-,21-/m0/s1
C21H26O5358.42811100
114553494

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1/i3D2,5D
C21H23D3O5361.44661100
12

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