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
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Found 15 results

Search term: XBDQKXXYIPTUBI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
1005


InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
C3H6O274.0785163189659254157
2006589

Non-standard isotope
InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i1D3,2D2/hD
C3D6O280.115506232500
94556

Charge
InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p-1
C3H5O273.0711182912130153827
21170340

Non-standard isotope
InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i2D2
C3H4D2O276.0909181704
24532895

Non-standard isotope
InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i1D3,2D2
C3HD5O279.1093182101
8686207

Non-standard isotope
InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i1D3
C3H3D3O277.097171702
17340260

Non-standard isotope
InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i2D2/hD
C3H3D3O277.097161200
21171084

Non-standard isotope
InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i3+1
C213CH6O275.0712161400
8053011

Non-standard isotope
InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i1+1,2+1,3+1
13C3H6O277.0565151400
17341316

Non-standard isotope
InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i1+1,2+1
C13C2H6O276.06385400
8164794

Non-standard isotope
InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i1+1D3
C213CH3D3O278.08972100
396905

Non-standard isotope
InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i1-1
C211CH6O273.07932200
8877130

Non-standard isotope
InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i1T
C3H5TO276.08662100
9989934

Non-standard isotope
InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i1+1
C213CH6O275.07122100
17341314

Non-standard isotope
InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i2+1,3+1
C13C2H6O276.06381100

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