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: KYYIDSXMWOZKMP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
111300

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
C16H25NO2263.37521242151873
16788281

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3/t15-/m0/s1
C16H25NO2263.3752333000
7992473

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3/t15-/m1/s1
C16H25NO2263.3752302500
29738764

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3/i1D3,2D3
C16H19D6NO2269.4122182600
44211189

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3/i3D2,4D2,5D2,10D2,11D2
C16H15D10NO2273.4368101000
62861564

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3/t15-/m1/s1/i1D3,2D3
C16H19D6NO2269.41222100

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