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 11 results

Search term: MFOCDFTXLCYLKU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
11950


0 of 2 defined stereocentres - 0/2 defined
InChI=1/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
C12H17NO191.269548100518
28295

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t10-,12+/m0/s1
C12H17NO191.2695343900
48062534

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t10-,12+/m0/s1/i2D3
C12H14D3NO194.2883700
57418834

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t10-,12-/m1/s1
C12H17NO191.26952100
107447145

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t10-,12-/m0/s1/i2D3
C12H14D3NO194.2882300
107447235

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t10-,12+/m0/s1/i2+1D3
C1113CH14D3NO195.28061100
111312453

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t10-,12+/m1/s1/i2+1D3
C1113CH14D3NO195.28061100
78076106

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t10-,12+/m1/s1/i2D3
C12H14D3NO194.2881100
78315621

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t10-,12-/m0/s1
C12H17NO191.26951200

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