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 57 results

Search term: FFEARJCKVFRZRR (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
853


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
C5H11NO2S149.21131781173383442763
5907


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
C5H11NO2S149.211315716765383813328
76512

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
C5H11NO2S149.21131184614731634
17341141

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/i5+1
C413CH11NO2S150.204121500
21171044

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/i1D3
C5H8D3NO2S152.229812121121
24532697

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1D3
C5H8D3NO2S152.2298111717
27473386

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1+1D3
C413CH8D3NO2S153.222581000
9979617

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i9+3
C5H11NO235S152.115481300
21170252

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i5+1
C413CH11NO2S150.20481200
32821133

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1+1
C413CH11NO2S150.20471200
24532199

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1/i1D3
C5H8D3NO2S152.22987919
24532696

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/i4D
C5H10DNO2S150.217567048
24532698

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/i2D2,3D2
C5H7D4NO2S153.2365701
48063385

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i9+2
C5H11NO234S151.11425500
48063386

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1
13C5H1115NO2S155.1685600
49071185

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1/i1+1
C413CH11NO2S150.2045600
9964034

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1-1
C411CH11NO2S148.21215700
17345099

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i6+1
C5H1115NO2S150.20475600
152405

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1/i1-1
C411CH11NO2S148.21214400
396853

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/i1-1
C411CH11NO2S148.21214500
123

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