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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 37 results

Search term: C47H74O17 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
140677

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C47H74O17/c1-21-29(51)31(53)34(56)39(60-21)63-36-30(52)24(49)19-59-40(36)64-37-33(55)32(54)35(38(57)58)62-41(37)61-28-12-13-44(5)25(45(28,6)20-48)11-14-47(8)26(44)10-9-22-23-17-42(2,3)18-27(50)43(23,4)15-16-46(22,47)7/h9,21,23-26,28-37,39-41,48-49,51-56H,10-20H2,1-8H3,(H,57,58)/t21-,23-,24+,25+,26+,28-,29-,30-,31+,32-,33-,34+,35-,36+,37+,39-,40-,41+,43+,44-,45+,46+,47+/m0/s1
C47H74O17911.08037500
10236941

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C47H74O17/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)63-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,41(57)58)17-15-45(23,46)6/h8,21-22,24-40,48,50-56H,9-20H2,1-7H3,(H,57,58)/t22-,24-,25+,26-,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1
C47H74O17911.08035600
78429223

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C47H74O17/c1-21-41(54)31(48)16-38(57-21)62-43-23(3)59-40(18-33(43)50)64-44-24(4)60-39(19-34(44)51)63-42-22(2)58-37(17-32(42)49)61-27-9-11-45(5)26(14-27)7-8-29-30(45)15-35(52)46(6)28(10-12-47(29,46)55)25-13-36(53)56-20-25/h13,21-24,26-35,37-44,48-52,54-55H,7-12,14-20H2,1-6H3/t21-,22-,23-,24-,26-,27+,28-,29-,30+,31+,32+,33+,34+,35-,37+,38+,39+,40+,41-,42-,43-,44-,45+,46+,47+/m1/s1
C47H74O17911.08035400
90615867

22 of 24 defined stereocentres - 22/24 defined
InChI=1/C47H74O17/c1-21-28(50)30(52)32(54)37(59-21)63-35-34(62-38-33(55)31(53)29(51)24(19-48)60-38)23(49)20-58-39(35)61-27-12-13-42(4)25(41(27,2)3)11-14-44(6)26(42)10-9-22-36-46(8,57)45(7)16-18-47(36,40(56)64-45)17-15-43(22,44)5/h9,21,23-39,48-55,57H,10-20H2,1-8H3/t21-,23-,24+,25?,26?,27-,28-,29+,30+,31-,32+,33+,34-,35+,36+,37-,38-,39-,42-,43+,44+,45-,46-,47+/m0/s1
C47H74O17911.08034200
10018323

Double-bond stereo

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C47H74O17/c1-11-20(2)39(59)64-37-36(56)42(4,5)18-23-22-12-13-25-44(8)16-15-26(43(6,7)24(44)14-17-45(25,9)46(22,10)34(54)35(55)47(23,37)19-48)61-41-33(30(52)29(51)32(62-41)38(57)58)63-40-31(53)28(50)27(49)21(3)60-40/h11-12,21,23-37,40-41,48-56H,13-19H2,1-10H3,(H,57,58)/b20-11-/t21-,23-,24-,25+,26-,27-,28+,29-,30-,31+,32-,33+,34-,35+,36-,37-,40-,41+,44-,45+,46-,47-/m0/s1
C47H74O17911.08034300
9300969

24 of 24 defined stereocentres - 24/24 defined
InChI=1/C47H74O17/c1-22-30(51)33(54)36(57)39(60-22)64-37-34(55)31(52)23(18-48)61-40(37)62-24-19-58-38(35(56)32(24)53)63-29-10-11-43(5)25(41(29,2)3)8-12-44(6)26(43)9-13-47-27-16-42(4,20-49)14-15-46(27,21-59-47)28(50)17-45(44,47)7/h20,22-27,29-40,48,51-57H,8-19,21H2,1-7H3/t22-,23+,24-,25-,26+,27+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,42-,43-,44+,45-,46+,47-/m0/s1
C47H74O17911.08034300
10237106

24 of 24 defined stereocentres - 24/24 defined
InChI=1/C47H74O17/c1-20-30(50)34(54)37(64-38-35(55)31(51)23(48)18-58-38)40(60-20)59-19-24-32(52)33(53)36(56)39(61-24)62-28-12-13-44(6)25(43(28,4)5)11-14-45(7)26(44)10-9-21-22-15-42(2,3)29-17-47(22,41(57)63-29)27(49)16-46(21,45)8/h9,20,22-40,48-56H,10-19H2,1-8H3/t20-,22+,23-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33+,34+,35-,36-,37-,38+,39+,40-,44+,45-,46-,47-/m1/s1
C47H74O17911.08033300
57620510

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C47H74O17/c1-22(49)58-28-20-57-40(36(60-24(3)51)35(28)59-23(2)50)63-30-12-14-47-21-46(47)16-15-43(8)37(45(10)13-11-31(64-45)42(6,7)56)25(52)18-44(43,9)29(46)17-26(38(47)41(30,4)5)61-39-34(55)33(54)32(53)27(19-48)62-39/h25-40,48,52-56H,11-21H2,1-10H3/t25-,26-,27+,28+,29-,30-,31-,32+,33-,34+,35-,36+,37-,38-,39+,40-,43+,44-,45+,46-,47+/m0/s1
C47H74O17911.08033200
9518479

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C47H74O17/c1-20-28(51)30(53)33(56)39(60-20)63-35-29(52)25(49)19-59-40(35)64-36-32(55)31(54)34(38(57)58)62-41(36)61-21-15-43(4,5)26-10-11-47(9)37(45(26,7)16-21)24(48)14-22-23-17-42(2,3)18-27(50)44(23,6)12-13-46(22,47)8/h20-21,25-37,39-41,49-56H,10-19H2,1-9H3,(H,57,58)/t20-,21+,25+,26-,27-,28-,29-,30+,31-,32-,33+,34-,35+,36+,37+,39-,40-,41+,44+,45-,46+,47+/m0/s1
C47H74O17911.08032100
169722

0 of 23 defined stereocentres - 0/23 defined
InChI=1/C47H74O17/c1-21-29(51)31(53)34(56)39(60-21)63-36-30(52)24(49)19-59-40(36)64-37-33(55)32(54)35(38(57)58)62-41(37)61-28-12-14-47(20-48)25(43(28,4)5)11-13-46(8)26(47)10-9-22-23-17-42(2,3)18-27(50)44(23,6)15-16-45(22,46)7/h9,20-21,23-37,39-41,49-56H,10-19H2,1-8H3,(H,57,58)
C47H74O17911.08032200
8209293

20 of 21 defined stereocentres - 20/21 defined
InChI=1/C47H74O17/c1-23-42(61-29(7)52)36(58-26(4)49)20-40(56-23)63-44-25(3)57-41(21-38(44)60-28(6)51)64-43-24(2)55-39(19-37(43)59-27(5)50)62-31-12-15-45(8)30(18-31)10-11-33-32(45)13-16-46(9)34(35(53)22-48)14-17-47(33,46)54/h23-25,30-44,48,53-54H,10-22H2,1-9H3/t23-,24-,25-,30-,31+,32+,33-,34-,35?,36+,37+,38+,39+,40+,41+,42-,43-,44-,45+,46-,47+/m1/s1
C47H74O17911.08032100
8232174

21 of 24 defined stereocentres - 21/24 defined
InChI=1/C47H74O17/c1-20(2)22-11-16-47(42(57)58)18-17-45(7)23(28(22)47)9-10-26-44(6)14-13-27(43(4,5)25(44)12-15-46(26,45)8)61-41-37(33(53)32(52)35(62-41)38(55)56)64-40-36(30(50)24(48)19-59-40)63-39-34(54)31(51)29(49)21(3)60-39/h21-37,39-41,48-54H,1,9-19H2,2-8H3,(H,55,56)(H,57,58)/t21-,22-,23?,24+,25?,26+,27-,28?,29-,30-,31+,32-,33-,34+,35-,36+,37+,39-,40-,41+,44-,45+,46+,47-/m0/s1
C47H74O17911.08032100
8503870

17 of 23 defined stereocentres - 17/23 defined
InChI=1/C47H74O17/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)63-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,41(57)58)17-15-45(23,46)6/h8,21-22,24-40,48,50-56H,9-20H2,1-7H3,(H,57,58)/t22-,24?,25-,26-,27?,28?,29-,30-,31-,32-,33+,34+,35+,36-,37+,38-,39?,40-,43-,44?,45+,46+,47?/m0/s1
C47H74O17911.08032100
8526246

22 of 24 defined stereocentres - 22/24 defined
InChI=1/C47H74O17/c1-20-30(50)34(54)37(64-38-35(55)31(51)23(48)18-58-38)40(60-20)59-19-24-32(52)33(53)36(56)39(61-24)62-28-12-13-44(6)25(43(28,4)5)11-14-45(7)26(44)10-9-21-22-15-42(2,3)29-17-47(22,41(57)63-29)27(49)16-46(21,45)8/h9,20,22-40,48-56H,10-19H2,1-8H3/t20-,22+,23-,24-,25?,26?,27-,28+,29+,30+,31+,32-,33+,34+,35-,36-,37-,38+,39+,40-,44+,45-,46-,47-/m1/s1
C47H74O17911.08032100
8661360

20 of 23 defined stereocentres - 20/23 defined
InChI=1/C47H74O17/c1-21-29(51)31(53)34(56)39(60-21)63-36-30(52)24(49)19-59-40(36)64-37-33(55)32(54)35(38(57)58)62-41(37)61-28-12-13-44(5)25(45(28,6)20-48)11-14-47(8)26(44)10-9-22-23-17-42(2,3)18-27(50)43(23,4)15-16-46(22,47)7/h9,21,23-26,28-37,39-41,48-49,51-56H,10-20H2,1-8H3,(H,57,58)/t21-,23-,24+,25?,26?,28?,29-,30-,31+,32-,33-,34+,35-,36+,37+,39-,40-,41+,43+,44-,45+,46+,47+/m0/s1
C47H74O17911.08032100
8994894

Double-bond stereo

18 of 21 defined stereocentres - 18/21 defined
InChI=1/C47H74O17/c1-9-22(2)39(59)61-30-18-42(3,4)16-24-23-10-11-27-43(5)14-13-29(44(6,20-49)26(43)12-15-45(27,7)46(23,8)17-28(51)47(24,30)21-50)62-41-35(56)36(34(55)37(64-41)38(57)58)63-40-33(54)32(53)31(52)25(19-48)60-40/h9-10,24-37,40-41,48-56H,11-21H2,1-8H3,(H,57,58)/b22-9+/t24-,25-,26-,27-,28?,29?,30+,31-,32+,33-,34+,35-,36+,37+,40+,41-,43+,44+,45-,46-,47?/m1/s1
C47H74O17911.08032100
8994895

22 of 23 defined stereocentres - 22/23 defined
InChI=1/C47H74O17/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)63-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,41(57)58)17-15-45(23,46)6/h8,21-22,24-40,48,50-56H,9-20H2,1-7H3,(H,57,58)/t22-,24-,25+,26-,27?,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1
C47H74O17911.08032100
8994896

19 of 22 defined stereocentres - 19/22 defined
InChI=1/C47H74O17/c1-21-30(50)32(52)35(55)40(60-21)63-38-26(18-48)61-39(37(57)34(38)54)59-19-27-31(51)33(53)36(56)41(62-27)64-42(58)47-15-12-23-22-8-11-28-44(4,5)29(49)13-14-45(28,6)24(22)9-10-25(23)46(47,7)20-43(2,3)16-17-47/h12,21-22,24-28,30-41,48,50-57H,8-11,13-20H2,1-7H3/t21-,22-,24?,25?,26+,27+,28?,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40-,41-,45+,46-,47-/m0/s1
C47H74O17911.08032100
12

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