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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 19 results

Search term: C40H71NO14 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
64402

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C40H71NO14/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3/t20-,21-,22+,23+,24-,25+,26+,27-,29+,31+,32-,33-,34+,35-,37+,38-,39-,40-/m1/s1
C40H71NO14789.99414550
17467060

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C40H71NO14/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3/t20-,21+,22+,23+,24-,25-,26-,27-,29-,31+,32+,33-,34-,35-,37-,38-,39+,40-/m1/s1
C40H71NO14789.999500
9910126

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C40H71NO14/c1-16-28-40(11,47)33(44)22(4)30(43)20(2)18-39(10,49-15)35(55-37-32(52-26(8)42)27(41(12)13)17-21(3)50-37)23(5)31(24(6)36(46)53-28)54-29-19-38(9,48-14)34(45)25(7)51-29/h20-25,27-29,31-35,37,44-45,47H,16-19H2,1-15H3/t20-,21-,22+,23+,24-,25+,27+,28-,29+,31+,32-,33-,34+,35-,37+,38-,39-,40-/m1/s1
C40H71NO14789.993300
17973

9 of 18 defined stereocentres - 9/18 defined
InChI=1/C40H71NO14/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3/t20-,21?,22+,23?,24-,25?,26?,27-,29?,31+,32?,33-,34?,35-,37?,38-,39?,40-/m1/s1
C40H71NO14789.992200
8615718

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C40H71NO14/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3/t20-,21+,22+,23+,24-,25+,26-,27-,29+,31+,32+,33-,34+,35-,37-,38-,39-,40-/m1/s1
C40H71NO14789.992100
23236968

18 of 19 defined stereocentres - 18/19 defined
InChI=1/C40H71NO14/c1-14-28-40(10,47)33(44)22(4)30(42)20(2)16-39(9,50-19-26-18-49-26)35(55-37-31(43)27(41(11)12)15-21(3)51-37)23(5)32(24(6)36(46)53-28)54-29-17-38(8,48-13)34(45)25(7)52-29/h20-29,31-35,37,43-45,47H,14-19H2,1-13H3/t20-,21-,22+,23+,24-,25+,26?,27+,28-,29+,31-,32+,33-,34+,35-,37+,38-,39+,40-/m1/s1
C40H71NO14789.992200
23237115

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C40H71NO14/c1-15-28-40(11,48)33(45)23(5)30(43)20(2)17-39(10,50-19-21(3)42)35(55-37-31(44)27(41(12)13)16-22(4)51-37)24(6)32(25(7)36(47)53-28)54-29-18-38(9,49-14)34(46)26(8)52-29/h20,22-29,31-35,37,44-46,48H,15-19H2,1-14H3/t20-,22-,23+,24+,25-,26+,27+,28-,29+,31-,32+,33-,34+,35-,37+,38-,39+,40-/m1/s1
C40H71NO14789.992200
23333077

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C40H71NO14/c1-15-27-40(11,48)35(53-28(42)16-2)22(5)30(43)20(3)18-38(9,47)34(55-37-31(44)26(41(12)13)17-21(4)50-37)23(6)32(24(7)36(46)52-27)54-29-19-39(10,49-14)33(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3/t20-,21-,22+,23+,24-,25+,26+,27-,29+,31-,32+,33+,34-,35-,37+,38+,39-,40+/m1/s1
C40H71NO14789.992200
28651417

8 of 18 defined stereocentres - 8/18 defined
InChI=1/C40H71NO14/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3/t20?,21?,22-,23?,24?,25?,26?,27?,29+,31+,32-,33?,34?,35-,37?,38+,39-,40-/m1/s1
C40H71NO14789.991100
67153558

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C40H71NO14/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3/t20-,21+,22+,23+,24+,25-,26-,27-,29-,31+,32+,33-,34-,35-,37-,38-,39+,40-/m0/s1
C40H71NO14789.991400
78425137

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C40H71NO14/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3/t20-,21-,22+,23+,24-,25+,26+,27-,29+,31+,32-,33-,34+,35-,37+,38-,39-,40-/m0/s1
C40H71NO14789.991100
110804109

16 of 18 defined stereocentres - 16/18 defined
InChI=1/C40H71NO14/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3/t20-,21-,22+,23+,24-,25+,26+,27?,29+,31?,32-,33-,34+,35-,37+,38-,39-,40-/m1/s1
C40H71NO14789.991100
5034729

16 of 18 defined stereocentres - 16/18 defined
InChI=1/C40H71NO14/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3/t20-,21-,22+,23+,24-,25+,26+,27-,29?,31+,32-,33-,34+,35-,37?,38-,39-,40-/m1/s1
C40H71NO14789.991100
17461217

15 of 18 defined stereocentres - 15/18 defined
InChI=1/C40H71NO14/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3/t20-,21-,22+,23+,24-,25-,26+,27-,29?,31+,32-,33-,34-,35-,37?,38?,39+,40-/m1/s1
C40H71NO14789.991100

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