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 9 results

Search term: WJBLNOPPDWQMCH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4447642

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19+,20+,21-/m1/s1
C21H25NO3339.4281596600
4269

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2
C21H25NO3339.42811115400
29738733

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16?,19-,20-,21+/m0/s1
C21H25NO3339.42816600
29738736

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16?,19-,20-,21+/m0/s1/i11D2,13D
C21H22D3NO3342.44665500
24606071

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19+,20+,21-/m1/s1/i11D2,13D
C21H22D3NO3342.44665600
34018630

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19+,20+,21?/m1/s1
C21H25NO3339.42812200
58783008

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19?,20+,21-/m1/s1/i11D2,13D
C21H22D3NO3342.44661100
107445476

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19-,20+,21-/m1/s1
C21H25NO3339.42811100

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