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 7 results

Search term: WCVRQHFDJLLWFE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
83953

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3
C5H12O2104.147610315710115
5323458

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3/t5-/m0/s1
C5H12O2104.14758263100
5323459

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3/t5-/m1/s1
C5H12O2104.14758141500
8164811

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3/i4+2
C414CH12O2106.14012200
58785085

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3/i1D3,2D2
C5H7D5O2109.17842200
60498022

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3/i4D2,5D
C5H9D3O2107.16611100
107437251

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3/i1D3,2D2,3D2
C5H5D7O2111.19071100

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