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 56 results

Search term: KZSNJWFQEVHDMF (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
6050


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
C5H11NO2117.1463181720114071490
1148


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)
C5H11NO2117.1463146407123022355
64635

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1
C5H11NO2117.1463142338834313
21170261

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/i6+1
C5H1115NO2118.1397262600
21170382

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/i1D3,2D3,3D,4D
C5H3D8NO2125.1956191900
8394909

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/i5+1
C413CH11NO2118.139161500
9226787

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/i5+1
C413CH11NO2118.139161700
21170260

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/i1D3,2D3,3D,4D
C5H3D8NO2125.1956141001
9990502

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/i6+1
C5H1115NO2118.1397131400
21169772

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1
13C5H1115NO2123.103131400
24533042

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/i4D
C5H10DNO2118.1525129039
24533043

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/i4D
C5H10DNO2118.1525118021
32818310

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/i5+2
C414CH11NO2119.13898600
24533044

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/i3D
C5H10DNO2118.152577017
24533176

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/i3D,4D
C5H9D2NO2119.158777014
49071722

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1/i1D3,2D3,3D,4D
C5H3D8NO2125.19566500
49072688

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1
13C5H11NO2122.10965500
4574236

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p-1/t4-/m0/s1
C5H10NO2116.13895604
49071255

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/i4+1
C413CH11NO2118.1394300
57569808

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/i1+1,2+1,3+1,4+1,5+1,6+1
13C5H1115NO2123.1033200
123

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