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 60 results

Search term: WHUUTDBJXJRKMK (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
30572


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
C5H9NO4147.1293169751178223163
591


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
C5H9NO4147.129316911601172562627
21814

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
C5H9NO4147.1293157237737463
9117825

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1/i6+1
C5H915NO4148.1227293300
24532569

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/i1D2,2D2,3D
C5H4D5NO4152.1601192306
24532570

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1/i1D2,2D2,3D
C5H4D5NO4152.1601172205
24532568

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/i2D2,3D
C5H6D3NO4150.1477162203
24532152

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1/i1D2,2D2,3D
C5H4D5NO4152.1601141703
147091

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1/i4+2
C414CH9NO4149.1218141200
17341135

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/i4+1
C413CH9NO4148.1219131200
8233196

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1/i5+1
C413CH9NO4148.1219131100
17341165

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1/i1+1
C413CH9NO4148.1219121300
27473284

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1/i4+1
C413CH9NO4148.1219121300
4573882

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1
C5H8NO4146.12191229900
32820225

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/i3+1
C413CH9NO4148.1219101100
49071390

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1/i1+1,2+1,3+1,4+1,5+1
13C5H9NO4152.0925101300
4574049

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2/t3-/m0/s1
C5H7NO4145.1145954701541891
3390755

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1
C5H8NO4146.1213281400
4302384

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2
C5H7NO4145.1133883934370156320808
17341041

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1/i3+1
C413CH9NO4148.12198800
123

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