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: KRNYAGXXMXIIDU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
20564874

Double-bond stereo

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C54H86O18/c1-14-26(2)50(58)69-40-22-36-35(54(59)20-18-34(27(3)55)53(40,54)9)16-15-32-21-33(17-19-52(32,36)8)68-41-23-37(60-10)46(29(5)64-41)70-42-24-38(61-11)47(30(6)65-42)71-43-25-39(62-12)48(31(7)66-43)72-51-45(57)49(63-13)44(56)28(4)67-51/h14-15,28-31,33-49,51,56-57,59H,16-25H2,1-13H3/b26-14+/t28-,29-,30-,31-,33+,34-,35-,36+,37+,38+,39+,40-,41+,42+,43+,44-,45-,46-,47-,48-,49+,51+,52+,53+,54+/m1/s1
C54H86O181023.24981100
28284229

Double-bond stereo

19 of 25 defined stereocentres - 19/25 defined
InChI=1/C54H86O18/c1-14-26(2)50(58)69-40-22-36-35(54(59)20-18-34(27(3)55)53(40,54)9)16-15-32-21-33(17-19-52(32,36)8)68-41-23-37(60-10)46(29(5)64-41)70-42-24-38(61-11)47(30(6)65-42)71-43-25-39(62-12)48(31(7)66-43)72-51-45(57)49(63-13)44(56)28(4)67-51/h14-15,28-31,33-49,51,56-57,59H,16-25H2,1-13H3/b26-14+/t28-,29-,30-,31-,33+,34-,35?,36?,37+,38+,39-,40-,41?,42?,43?,44?,45-,46-,47-,48-,49+,51+,52+,53+,54+/m1/s1
C54H86O181023.24981100

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