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 16 results

Search term: QAHOQNJVHDHYRN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5254726

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1
C20H26O3314.4186607200
546027

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3
C20H26O3314.4186141100
18512517

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19-,20+/m1/s1
C20H26O3314.41866800
59809

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19?,20+/m1/s1
C20H26O3314.41863301
77499379

4 of 5 defined stereocentres - 4/5 defined

Non-standard isotope
InChI=1/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19?,20+/m1/s1/i8D2,19D
C20H23D3O3317.43713300
58783610

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1/i8D2,19D
C20H23D3O3317.43713500
110805059

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19+,20-/m1/s1
C20H26O3314.41862200
114815589

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17+,18+,19+,20-/m1/s1
C20H26O3314.41862200
62511763

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17+,18+,19+,20+/m0/s1
C20H26O3314.41862200
32796878

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19+,20-/m0/s1
C20H26O3314.41862100
78430248

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17+,18-,19-,20-/m0/s1
C20H26O3314.41861100
78431610

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17+,18-,19?,20-/m0/s1
C20H26O3314.41861100
107443569

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17+,18+,19-,20-/m0/s1
C20H26O3314.41861400
107449537

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17?,18+,19+,20+/m1/s1
C20H26O3314.41861100
110094619

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17+,18+,19+,20+/m1/s1
C20H26O3314.41861100
62352644

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19-,20-/m0/s1
C20H26O3314.41861100

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