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: METKIMKYRPQLGS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2162

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
C14H22N2O3266.33611754352588676
157120

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m1/s1
C14H22N2O3266.3361697600
152937

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m0/s1
C14H22N2O3266.3361656700
24533441

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/i1D3,2D3,10D
C14H15D7N2O3273.3792191700
29738783

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m1/s1/i1D3,2D3,10D
C14H15D7N2O3273.3792101100
29738784

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m0/s1/i1D3,2D3,10D
C14H15D7N2O3273.3792101400
5294284

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/p+1/t12-/m1/s1
C14H23N2O3267.344023200
5300875

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/p+1/t12-/m0/s1
C14H23N2O3267.344022100
397066

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/i10-1
C1311CH22N2O3265.33682200
95704861

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/i17D/hD3
C14H18D4N2O3270.36071100
110406436

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/i3T,4T,5T,6T
C14H18T4N2O3274.36851100

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