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 14 results

Search term: YOVRGSHRZRJTLZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
97282

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15-,16-/m1/s1
C21H28O4344.4446346500
97019

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)
C21H28O4344.4446246600
27523951

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15-,16-/m1/s1/i1D3
C21H25D3O4347.4631142200
29367381

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15-,16-/m0/s1
C21H28O4344.4446141700
26457984

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/i1D3
C21H25D3O4347.4631101400
62880321

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15-,16-/m1/s1/i1D3,2D3,3D3
C21H19D9O4353.50017500
32818168

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/i1D3,2D3,3D3
C21H19D9O4353.500171300
5042572

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15?,16-/m1/s1
C21H28O4344.44466300
26358838

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15-,16+/m0/s1
C21H28O4344.44464400
58784258

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15-,16-/m1/s1/i1D3,4D2,5D2,6D2
C21H19D9O4353.50013400
58784607

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15-,16-/m0/s1/i1D3,4D2,5D2,6D2
C21H19D9O4353.50013300
8911942

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/i2D3,3D3
C21H22D6O4350.48162100
48062053

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15-,16-/m0/s1/i1D3
C21H25D3O4347.46312200
107446900

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15-,16-/m0/s1/i1D3,2D3,3D3
C21H19D9O4353.50011100

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