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
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Found 8 results

Search term: IUBSYMUCCVWXPE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4027

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
C15H25NO3267.36391303672524360
138781

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3/t14-/m0/s1
C15H25NO3267.3639505300
138782

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3/t14-/m1/s1
C15H25NO3267.3639385400
48061605

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3/t14-/m1/s1/i1D3,2D3,12D
C15H18D7NO3274.4076500
48061606

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3/t14-/m0/s1/i1D3,2D3,12D
C15H18D7NO3274.4076500
397061

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3/i12-1
C1411CH25NO3266.36462200
95612211

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3/i17D/hD
C15H23D2NO3269.37621100
110404327

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3/i3D3,8D,9D2
C15H19D6NO3273.40091100

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