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: CCKRBYSEHFRQJA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7987409

Double-bond stereo

19 of 20 defined stereocentres - 19/20 defined
InChI=1/C48H75NO17/c1-27-18-16-14-12-10-8-6-7-9-11-13-15-17-19-33(65-48-46(60)42(49)44(58)30(4)64-48)24-38-41(47(61)62-5)36(54)26-39(66-38)45(59)37(55)25-35(53)34(52)21-20-31(50)22-32(51)23-40(56)63-29(3)28(2)43(27)57/h6-19,27-39,41-46,48,50-55,57-60H,20-26,49H2,1-5H3/b7-6+,10-8+,11-9+,14-12+,15-13+,18-16-,19-17+/t27-,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39?,41+,42-,43+,44+,45+,46-,48-/m0/s1
C48H75NO17938.1055999999982100
9041218

Double-bond stereo

19 of 20 defined stereocentres - 19/20 defined
InChI=1/C48H75NO17/c1-27-18-16-14-12-10-8-6-7-9-11-13-15-17-19-33(65-48-46(60)42(49)44(58)30(4)64-48)24-38-41(47(61)62-5)36(54)26-39(66-38)45(59)37(55)25-35(53)34(52)21-20-31(50)22-32(51)23-40(56)63-29(3)28(2)43(27)57/h6-19,27-39,41-46,48,50-55,57-60H,20-26,49H2,1-5H3/b7-6+,10-8+,11-9+,14-12+,15-13+,18-16-,19-17+/t27-,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39?,41+,42-,43+,44+,45+,46-,48+/m0/s1
C48H75NO17938.10562100

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