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: AYXYPKUFHZROOJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4589156


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
C8H17NO2159.2261127173610149
3902475

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)
C8H17NO2159.226110638480
111956

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m1/s1
C8H17NO2159.2261423500
58783340

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/i4+1,5+1,8+1
C513C3H17NO2162.20471300
24533661

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1/i4D2,5D2
C8H13D4NO2163.25075700
58785509

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/i4D2,5D2
C8H13D4NO2163.25072200
110404590

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/i1D3,2D3,3D2,6D,7D
C8H7D10NO2169.28772200
78076129

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1/i1D3,2D3,3D2,6D,7D
C8H7D10NO2169.28771100
58785360

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1/i4+1,5+1,8+1
C513C3H17NO2162.2041100
49073345

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/i1D3,2D3
C8H11D6NO2165.26311200

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