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: LFZXKCMSMRJYNF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8073421

Double-bond stereo

18 of 20 defined stereocentres - 18/20 defined
InChI=1/C48H75NO17/c1-27-18-16-14-12-10-8-6-7-9-11-13-15-17-19-34(65-48-46(60)41(49)43(57)30(4)64-48)26-37-40(47(61)62-5)45(59)44(58)38(66-37)24-33(52)23-36(54)35(53)21-20-31(50)22-32(51)25-39(55)63-29(3)28(2)42(27)56/h6-19,27-38,40-46,48,50-54,56-60H,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?,40-,41-,42+,43+,44+,45+,46-,48?/m0/s1
C48H75NO17938.10562100
8638969

Double-bond stereo

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

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