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 2 results

Search term: OKMNTAQZMKYJIR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24607918

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C44H60O7/c1-30(19-15-20-32(3)23-24-39-40(7,8)25-36(49-34(5)45)27-42(39,11)48)17-13-14-18-31(2)21-16-22-33(4)38(47)29-44-41(9,10)26-37(50-35(6)46)28-43(44,12)51-44/h13-23,36-37,48H,25-29H2,1-12H3/b14-13+,19-15+,21-16+,30-17+,31-18+,32-20+,33-22+/t24?,36-,37-,42+,43+,44-/m0/s1
C44H60O7700.9432200
115267555

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C44H60O7/c1-30(19-15-20-32(3)23-24-39-40(7,8)25-36(49-34(5)45)27-42(39,11)48)17-13-14-18-31(2)21-16-22-33(4)38(47)29-44-41(9,10)26-37(50-35(6)46)28-43(44,12)51-44/h13-23,36-37,48H,25-29H2,1-12H3/b14-13+,19-15+,21-16+,30-17+,31-18+,32-20+,33-22+/t24-,36-,37-,42+,43+,44-/m0/s1
C44H60O7700.9431100

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