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 52 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)
C5H11NO2S149.2113134980383442763
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
C5H11NO2S149.211312416548383813328
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
C5H11NO2S149.2113903404731634
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
C413CH11NO2S150.204101100
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
C5H8D3NO2S152.2298661121
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
C5H8D3NO2S152.22986717
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
C413CH11NO2S150.2045700
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
C411CH11NO2S148.21215600
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
C5H11NO235S152.11545900
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
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
C5H8D3NO2S152.22984419
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
C413CH8D3NO2S153.22254400
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
C413CH11NO2S150.2043600
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
13C5H1115NO2S155.1683300
48244732

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)/i6+1
C5H1115NO2S150.20473300
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
C413CH11NO2S150.2043300
21171046

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
C413CH11NO2S150.2043300
4574310

Charge

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)/p-1/t4-/m0/s1
C5H10NO2S148.20393400
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
C5H1115NO2S150.20473400
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
C5H7D4NO2S153.2363401
123
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