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 4 results

Search term: KQUKDOSYQGPURW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9333822

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C43H68O16/c1-18-8-11-43(54-15-18)19(2)30-28(59-43)14-25-23-7-6-21-12-22(44)13-29(42(21,5)24(23)9-10-41(25,30)4)56-40-37(58-39-35(51)33(49)31(47)20(3)55-39)36(27(46)17-53-40)57-38-34(50)32(48)26(45)16-52-38/h6,18-20,22-40,44-51H,7-17H2,1-5H3/t18-,19+,20+,22-,23-,24+,25+,26-,27+,28+,29-,30+,31+,32+,33-,34-,35-,36+,37-,38+,39+,40+,41+,42+,43-/m1/s1
C43H68O16840.99045400
9575128

20 of 25 defined stereocentres - 20/25 defined
InChI=1/C43H68O16/c1-18-8-11-43(54-15-18)19(2)30-28(59-43)14-25-23-7-6-21-12-22(44)13-29(42(21,5)24(23)9-10-41(25,30)4)56-40-37(58-39-35(51)33(49)31(47)20(3)55-39)36(27(46)17-53-40)57-38-34(50)32(48)26(45)16-52-38/h6,18-20,22-40,44-51H,7-17H2,1-5H3/t18-,19+,20+,22-,23?,24?,25?,26-,27+,28?,29-,30?,31+,32+,33-,34+,35-,36+,37-,38+,39+,40+,41+,42+,43-/m1/s1
C43H68O16840.99042100
9940741

23 of 25 defined stereocentres - 23/25 defined
InChI=1/C43H68O16/c1-18-8-11-43(54-15-18)19(2)30-28(59-43)14-25-23-7-6-21-12-22(44)13-29(42(21,5)24(23)9-10-41(25,30)4)56-40-37(58-39-35(51)33(49)31(47)20(3)55-39)36(27(46)17-53-40)57-38-34(50)32(48)26(45)16-52-38/h6,18-20,22-40,44-51H,7-17H2,1-5H3/t18-,19+,20+,22-,23-,24+,25+,26-,27+,28?,29-,30?,31+,32+,33-,34-,35-,36+,37+,38+,39+,40-,41+,42+,43-/m1/s1
C43H68O16840.99042100
8947129

23 of 25 defined stereocentres - 23/25 defined
InChI=1/C43H68O16/c1-18-8-11-43(54-15-18)19(2)30-28(59-43)14-25-23-7-6-21-12-22(44)13-29(42(21,5)24(23)9-10-41(25,30)4)56-40-37(58-39-35(51)33(49)31(47)20(3)55-39)36(27(46)17-53-40)57-38-34(50)32(48)26(45)16-52-38/h6,18-20,22-40,44-51H,7-17H2,1-5H3/t18-,19-,20-,22+,23+,24-,25-,26+,27-,28?,29+,30?,31-,32-,33+,34+,35+,36-,37+,38-,39-,40-,41-,42-,43+/m0/s1
C43H68O16840.99042100

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