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 4 results

Search term: QQCLBMUOIGPCDE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24534065

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H28O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,10,14,16-17,21-23H,1,4,6-9,11H2,2-3H3/b13-5+/t14-,16+,17-,19+,20+/m1/s1
C20H28O5348.4333161200
57615938

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H28O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,10,14,16-17,21-23H,1,4,6-9,11H2,2-3H3/b13-5-/t14-,16+,17-,19+,20+/m1/s1
C20H28O5348.43332100
103867569

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H28O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,10,14,16-17,21-23H,1,4,6-9,11H2,2-3H3/t14-,16+,17-,19+,20+/m1/s1
C20H28O5348.43331100
114392168

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H28O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,10,14,16-17,21-23H,1,4,6-9,11H2,2-3H3/b13-5+/t14-,16-,17-,19-,20-/m0/s1
C20H28O5348.43331100

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