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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 6 results

Search term: RNHLYDFRRIHVAM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
57620924

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C47H76O17/c1-22-30(50)33(53)35(55)38(60-22)64-37-32(52)26(62-39-36(56)34(54)31(51)25(19-48)61-39)20-59-40(37)63-29-11-12-44(6)27(43(29,4)5)10-13-45(7)28(44)9-8-23-24-18-42(2,3)14-15-46(24,41(57)58)16-17-47(23,45)21-49/h8,22,24-40,48-56H,9-21H2,1-7H3,(H,57,58)/t22-,24-,25+,26-,27-,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,44-,45+,46-,47-/m0/s1
C47H76O17913.0961151400
82964570

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C47H76O17/c1-22-30(50)33(53)35(55)38(60-22)64-37-32(52)26(62-39-36(56)34(54)31(51)25(19-48)61-39)20-59-40(37)63-29-11-12-44(6)27(43(29,4)5)10-13-45(7)28(44)9-8-23-24-18-42(2,3)14-15-46(24,41(57)58)16-17-47(23,45)21-49/h8,22,24-40,48-56H,9-21H2,1-7H3,(H,57,58)/t22-,24-,25+,26-,27-,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,44-,45+,46-,47-/m1/s1
C47H76O17913.09613200
8163925

18 of 22 defined stereocentres - 18/22 defined
InChI=1/C47H76O17/c1-22-30(50)33(53)35(55)38(60-22)64-37-32(52)26(62-39-36(56)34(54)31(51)25(19-48)61-39)20-59-40(37)63-29-11-12-44(6)27(43(29,4)5)10-13-45(7)28(44)9-8-23-24-18-42(2,3)14-15-46(24,41(57)58)16-17-47(23,45)21-49/h8,22,24-40,48-56H,9-21H2,1-7H3,(H,57,58)/t22-,24?,25+,26+,27?,28?,29?,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,44-,45+,46-,47-/m0/s1
C47H76O17913.09612100
28286648

12 of 22 defined stereocentres - 12/22 defined
InChI=1/C47H76O17/c1-22-30(50)33(53)35(55)38(60-22)64-37-32(52)26(62-39-36(56)34(54)31(51)25(19-48)61-39)20-59-40(37)63-29-11-12-44(6)27(43(29,4)5)10-13-45(7)28(44)9-8-23-24-18-42(2,3)14-15-46(24,41(57)58)16-17-47(23,45)21-49/h8,22,24-40,48-56H,9-21H2,1-7H3,(H,57,58)/t22-,24?,25?,26?,27?,28?,29-,30?,31+,32?,33+,34?,35+,36+,37+,38?,39-,40?,44-,45+,46-,47-/m0/s1
C47H76O17913.09611100
60600519

21 of 22 defined stereocentres - 21/22 defined
InChI=1/C47H76O17/c1-22-30(50)33(53)35(55)38(60-22)64-37-32(52)26(62-39-36(56)34(54)31(51)25(19-48)61-39)20-59-40(37)63-29-11-12-44(6)27(43(29,4)5)10-13-45(7)28(44)9-8-23-24-18-42(2,3)14-15-46(24,41(57)58)16-17-47(23,45)21-49/h8,22,24-40,48-56H,9-21H2,1-7H3,(H,57,58)/t22-,24+,25+,26-,27?,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,44-,45+,46-,47-/m0/s1
C47H76O17913.09611100
113609157

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C47H76O17/c1-22-30(50)33(53)35(55)38(60-22)64-37-32(52)26(62-39-36(56)34(54)31(51)25(19-48)61-39)20-59-40(37)63-29-11-12-44(6)27(43(29,4)5)10-13-45(7)28(44)9-8-23-24-18-42(2,3)14-15-46(24,41(57)58)16-17-47(23,45)21-49/h8,22,24-40,48-56H,9-21H2,1-7H3,(H,57,58)/t22-,24-,25+,26-,27+,28+,29-,30-,31+,32-,33+,34-,35-,36-,37-,38+,39+,40+,44-,45+,46+,47-/m0/s1
C47H76O17913.09611100

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