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: YTJACEMMWCNUGZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
118759

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O5/c22-10-19(26)18-4-3-16-15-2-1-13-9-14(25)5-7-20(13,11-23)17(15)6-8-21(16,18)12-24/h9,15-18,22-24H,1-8,10-12H2/t15-,16-,17-,18+,20+,21+/m0/s1
C21H30O5362.45995500
59700604

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H30O5/c22-10-19(26)18-4-3-16-15-2-1-13-9-14(25)5-7-20(13,11-23)17(15)6-8-21(16,18)12-24/h9,15-18,22-24H,1-8,10-12H2/t15-,16+,17+,18+,20-,21?/m0/s1
C21H30O5362.45992100
58817688

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C21H30O5/c22-10-19(26)18-4-3-16-15-2-1-13-9-14(25)5-7-20(13,11-23)17(15)6-8-21(16,18)12-24/h9,15-18,22-24H,1-8,10-12H2/t15-,16-,17-,18+,20?,21?/m0/s1
C21H30O5362.45991100

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