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: BHLUWQFMLVBJAR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9962834

36 of 36 defined stereocentres - 36/36 defined
InChI=1/C56H92O29/c1-20(18-75-49-43(71)39(67)36(64)29(14-57)78-49)7-10-56(74)21(2)34-28(85-56)12-26-24-6-5-22-11-23(8-9-54(22,3)25(24)13-33(62)55(26,34)4)77-51-45(73)41(69)46(32(17-60)81-51)82-53-48(84-52-44(72)40(68)37(65)30(15-58)79-52)47(38(66)31(16-59)80-53)83-50-42(70)35(63)27(61)19-76-50/h20-32,34-53,57-61,63-74H,5-19H2,1-4H3/t20-,21+,22+,23+,24-,25+,26+,27-,28+,29-,30-,31-,32-,34+,35+,36-,37-,38-,39+,40+,41-,42-,43-,44-,45-,46+,47+,48-,49-,50+,51-,52+,53+,54+,55-,56-/m1/s1
C56H92O291229.31235400
8639491

33 of 36 defined stereocentres - 33/36 defined
InChI=1/C56H92O29/c1-20(18-75-49-43(71)39(67)36(64)29(14-57)78-49)7-10-56(74)21(2)34-28(85-56)12-26-24-6-5-22-11-23(8-9-54(22,3)25(24)13-33(62)55(26,34)4)77-51-45(73)41(69)46(32(17-60)81-51)82-53-48(84-52-44(72)40(68)37(65)30(15-58)79-52)47(38(66)31(16-59)80-53)83-50-42(70)35(63)27(61)19-76-50/h20-32,34-53,57-61,63-74H,5-19H2,1-4H3/t20?,21-,22-,23-,24+,25-,26-,27+,28?,29+,30+,31+,32+,34?,35-,36+,37+,38+,39-,40-,41+,42-,43+,44+,45+,46-,47-,48+,49+,50-,51+,52-,53-,54-,55+,56+/m0/s1
C56H92O291229.31232100
8733704

28 of 36 defined stereocentres - 28/36 defined
InChI=1/C56H92O29/c1-20(18-75-49-43(71)39(67)36(64)29(14-57)78-49)7-10-56(74)21(2)34-28(85-56)12-26-24-6-5-22-11-23(8-9-54(22,3)25(24)13-33(62)55(26,34)4)77-51-45(73)41(69)46(32(17-60)81-51)82-53-48(84-52-44(72)40(68)37(65)30(15-58)79-52)47(38(66)31(16-59)80-53)83-50-42(70)35(63)27(61)19-76-50/h20-32,34-53,57-61,63-74H,5-19H2,1-4H3/t20?,21-,22?,23-,24?,25?,26?,27+,28?,29+,30+,31+,32+,34?,35-,36+,37-,38+,39-,40-,41+,42+,43+,44+,45+,46+,47-,48+,49+,50-,51+,52-,53-,54-,55+,56?/m0/s1
C56H92O291229.31232100

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