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 3 results

Search term: PXRNLOCXHLPWMV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
23144672

Double-bond stereo

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C47H75NO14/c1-11-33-20-27(3)19-28(4)21-39(57-9)43-40(58-10)23-30(6)47(55,62-43)44(52)45(53)48-18-14-13-15-34(48)46(54)61-42(31(7)35(49)25-36(33)50)29(5)22-32-16-17-37(38(24-32)56-8)60-26-41(51)59-12-2/h20,22,28,30-35,37-40,42-43,49,55H,11-19,21,23-26H2,1-10H3/b27-20+,29-22+/t28-,30+,31+,32?,33+,34-,35-,37+,38+,39-,40-,42+,43+,47+/m0/s1
C47H75NO14878.09673300
8923551

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C47H75NO14/c1-11-33-20-27(3)19-28(4)21-39(57-9)43-40(58-10)23-30(6)47(55,62-43)44(52)45(53)48-18-14-13-15-34(48)46(54)61-42(31(7)35(49)25-36(33)50)29(5)22-32-16-17-37(38(24-32)56-8)60-26-41(51)59-12-2/h20,22,28,30-35,37-40,42-43,49,55H,11-19,21,23-26H2,1-10H3/b27-20+,29-22+/t28-,30+,31+,32-,33+,34-,35-,37+,38+,39-,40-,42+,43+,47+/m0/s1
C47H75NO14878.09672100
58139768

Double-bond stereo

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C47H75NO14/c1-11-33-20-27(3)19-28(4)21-39(57-9)43-40(58-10)23-30(6)47(55,62-43)44(52)45(53)48-18-14-13-15-34(48)46(54)61-42(31(7)35(49)25-36(33)50)29(5)22-32-16-17-37(38(24-32)56-8)60-26-41(51)59-12-2/h20,22,28,30-35,37-40,42-43,49,55H,11-19,21,23-26H2,1-10H3/b27-20-,29-22+/t28-,30+,31+,32?,33+,34-,35-,37+,38+,39-,40-,42+,43+,47+/m0/s1
C47H75NO14878.09671100

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