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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Single/Multi-component
Isotopically Labeled
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Found 9 results

Search term: ABDMBNAKYBUEEX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
18764011

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H19NO3/c1-3-15-11(14)10-8-5-4-7(12(8)2)6-9(10)13/h7-10,13H,3-6H2,1-2H3/t7-,8+,9-,10+/m0/s1
C11H19NO3213.2735183700
137049

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H19NO3/c1-3-15-11(14)10-8-5-4-7(12(8)2)6-9(10)13/h7-10,13H,3-6H2,1-2H3/t7-,8-,9+,10-/m1/s1
C11H19NO3213.27354500
8736073

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C11H19NO3/c1-3-15-11(14)10-8-5-4-7(12(8)2)6-9(10)13/h7-10,13H,3-6H2,1-2H3/t7-,8+,9-,10+/m0/s1/i1D3
C11H16D3NO3216.29192200
8902893

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C11H19NO3/c1-3-15-11(14)10-8-5-4-7(12(8)2)6-9(10)13/h7-10,13H,3-6H2,1-2H3/t7-,8+,9-,10+/m0/s1/i1D3,3D2
C11H14D5NO3218.30432200
9217261

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H19NO3/c1-3-15-11(14)10-8-5-4-7(12(8)2)6-9(10)13/h7-10,13H,3-6H2,1-2H3/t7-,8+,9+,10+/m1/s1
C11H19NO3213.27352100
29789678

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C11H19NO3/c1-3-15-11(14)10-8-5-4-7(12(8)2)6-9(10)13/h7-10,13H,3-6H2,1-2H3/t7?,8?,9-,10+/m0/s1
C11H19NO3213.27352200
111309905

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H19NO3/c1-3-15-11(14)10-8-5-4-7(12(8)2)6-9(10)13/h7-10,13H,3-6H2,1-2H3/t7-,8+,9-,10+/m1/s1
C11H19NO3213.27352500
111309492

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C11H19NO3/c1-3-15-11(14)10-8-5-4-7(12(8)2)6-9(10)13/h7-10,13H,3-6H2,1-2H3/t7?,8?,9-,10+/m1/s1
C11H19NO3213.27351100

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