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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 136 results

Search term: C47H76O17 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9825649

23 of 23 defined stereocentres - 23/23 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)63-29-11-12-43(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/h8,22,24-40,48-56H,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-,43-,44-,45+,46+,47-/m0/s1
C47H76O17913.0961332830
391764

24 of 24 defined stereocentres - 24/24 defined
InChI=1/C47H76O17/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/h9,21,23-37,39-41,48-56H,10-20H2,1-8H3,(H,57,58)/t21-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32-,33-,34+,35-,36+,37+,39-,40-,41+,43+,44-,45+,46+,47+/m0/s1
C47H76O17913.0961212000
417655

22 of 23 defined stereocentres - 22/23 defined
InChI=1/C47H76O17/c1-22-30(51)36(63-38-34(55)33(54)32(53)26(19-48)61-38)35(56)39(60-22)64-37-31(52)25(50)20-59-40(37)62-29-11-12-43(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/h8,22,24-40,48-56H,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-,43-,44-,45+,46+,47+/m0/s1
C47H76O17913.0961131100
9680982

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C47H76O17/c1-22-30(51)36(63-38-34(55)33(54)32(53)26(19-48)61-38)35(56)39(60-22)64-37-31(52)25(50)20-59-40(37)62-29-11-12-43(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/h8,22,24-40,48-56H,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-,43-,44-,45+,46+,47-/m0/s1
C47H76O17913.096113900
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
C47H76O17913.0961131200
9710065

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C47H76O17/c1-21(2)23-10-15-47(42(57)58)17-16-45(6)24(30(23)47)8-9-28-43(4)13-12-29(44(5,20-49)27(43)11-14-46(28,45)7)63-41-38(64-39-36(55)34(53)31(50)22(3)60-39)33(52)26(19-59-41)62-40-37(56)35(54)32(51)25(18-48)61-40/h22-41,48-56H,1,8-20H2,2-7H3,(H,57,58)/t22-,23-,24+,25+,26-,27+,28+,29-,30+,31-,32+,33-,34+,35-,36+,37+,38+,39-,40-,41-,43-,44-,45+,46+,47-/m0/s1
C47H76O17913.096112900
72975903

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C47H76O17/c1-42(2)14-16-47(41(58)64-40-35(56)33(54)31(52)26(20-49)61-40)17-15-45(6)22(23(47)18-42)8-9-28-44(5)12-11-29(43(3,4)27(44)10-13-46(28,45)7)62-38-36(57)37(24(50)21-59-38)63-39-34(55)32(53)30(51)25(19-48)60-39/h8,23-40,48-57H,9-21H2,1-7H3/t23-,24-,25+,26+,27-,28+,29-,30-,31+,32-,33-,34+,35+,36+,37-,38-,39-,40-,44-,45+,46+,47-/m0/s1
C47H76O17913.09618800
22912777

22 of 24 defined stereocentres - 22/24 defined
InChI=1/C47H76O17/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/h9,21,23-37,39-41,48-56H,10-20H2,1-8H3,(H,57,58)/t21-,23-,24-,25?,26?,27+,28-,29-,30-,31+,32-,33-,34+,35-,36+,37+,39-,40-,41+,43+,44-,45+,46+,47+/m0/s1
C47H76O17913.09618500
169756

22 of 23 defined stereocentres - 22/23 defined
InChI=1/C47H76O17/c1-21-30(51)32(53)34(55)38(60-21)64-37-36(63-39-35(56)33(54)31(52)25(19-48)61-39)24(49)20-59-40(37)62-29-12-13-44(6)26(43(29,4)5)11-14-45(7)27(44)10-9-22-23-17-42(2,3)15-16-47(23,41(57)58)28(50)18-46(22,45)8/h9,21,23-40,48-56H,10-20H2,1-8H3,(H,57,58)/t21-,23+,24-,25+,26?,27+,28+,29-,30-,31-,32+,33-,34+,35+,36-,37+,38-,39+,40-,44-,45+,46+,47+/m0/s1
C47H76O17913.09616500
10252036

24 of 24 defined stereocentres - 24/24 defined
InChI=1/C47H76O17/c1-21-11-16-47(41(56)57)18-17-44(6)23(37(47)46(21,8)58)9-10-27-43(5)14-13-28(42(3,4)26(43)12-15-45(27,44)7)62-39-35(30(51)24(49)20-59-39)64-40-36(33(54)31(52)25(19-48)61-40)63-38-34(55)32(53)29(50)22(2)60-38/h9,21-22,24-40,48-55,58H,10-20H2,1-8H3,(H,56,57)/t21-,22-,24+,25+,26-,27+,28-,29-,30-,31+,32+,33-,34+,35+,36+,37+,38-,39-,40-,43-,44+,45+,46+,47-/m0/s1
C47H76O17913.09615400
9204522

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C47H76O17/c1-21-8-14-46-20-59-47(38(46)22(21)2)15-10-27-42(4)12-11-29(43(5,19-49)26(42)9-13-44(27,6)45(47,7)16-28(46)51)62-40-36(33(55)30(52)23(3)60-40)64-41-37(34(56)32(54)25(17-48)61-41)63-39-35(57)31(53)24(50)18-58-39/h10,15,21-41,48-57H,8-9,11-14,16-20H2,1-7H3/t21-,22+,23-,24-,25-,26-,27-,28-,29+,30+,31+,32-,33+,34+,35-,36-,37-,38-,39+,40+,41+,42+,43+,44-,45+,46+,47+/m1/s1
C47H76O17913.09615500
9237130

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C47H76O17/c1-21-8-14-46-20-59-47(38(46)22(21)2)15-10-27-43(5)12-11-29(42(3,4)26(43)9-13-44(27,6)45(47,7)16-28(46)51)62-40-36(33(55)31(53)24(17-48)60-40)64-41-37(34(56)32(54)25(18-49)61-41)63-39-35(57)30(52)23(50)19-58-39/h10,15,21-41,48-57H,8-9,11-14,16-20H2,1-7H3/t21-,22+,23-,24-,25-,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,37-,38-,39+,40+,41+,43+,44-,45+,46+,47+/m1/s1
C47H76O17913.09615500
9717287

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C47H76O17/c1-21(2)23-10-15-47(42(57)58)17-16-45(6)24(30(23)47)8-9-28-43(4)13-12-29(44(5,20-49)27(43)11-14-46(28,45)7)62-41-38(32(52)25(50)19-59-41)64-40-36(56)37(31(51)22(3)60-40)63-39-35(55)34(54)33(53)26(18-48)61-39/h22-41,48-56H,1,8-20H2,2-7H3,(H,57,58)/t22-,23-,24+,25-,26+,27+,28+,29-,30+,31-,32-,33+,34-,35+,36+,37+,38+,39-,40-,41-,43-,44-,45+,46+,47-/m0/s1
C47H76O17913.09614300
8947407

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C47H76O17/c1-21-30(51)33(54)35(56)38(60-21)63-37-31(52)24(49)20-59-40(37)64-41(58)47-16-15-42(2,3)17-23(47)22-9-10-27-44(6)13-12-29(62-39-36(57)34(55)32(53)25(19-48)61-39)43(4,5)26(44)11-14-45(27,7)46(22,8)18-28(47)50/h9,21,23-40,48-57H,10-20H2,1-8H3/t21-,23-,24-,25+,26-,27+,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38-,39-,40-,44-,45+,46+,47+/m0/s1
C47H76O17913.09614300
9018739

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C47H76O17/c1-42(2)15-16-47(41(57)58-8)23(17-42)22-9-10-28-44(5)13-12-30(43(3,4)27(44)11-14-45(28,6)46(22,7)18-29(47)50)63-39-36(56)34(54)33(53)26(62-39)21-61-40-37(32(52)25(49)20-60-40)64-38-35(55)31(51)24(48)19-59-38/h9,23-40,48-56H,10-21H2,1-8H3/t23-,24-,25+,26-,27+,28-,29-,30+,31+,32+,33-,34+,35-,36-,37-,38+,39+,40+,44+,45-,46-,47-/m1/s1
C47H76O17913.09614300
84487410

22 of 24 defined stereocentres - 22/24 defined
InChI=1/C47H76O17/c1-21-10-15-47(42(58)64-41-36(56)34(54)32(52)26(19-49)61-41)17-16-45(6)23(30(47)22(21)2)8-9-28-44(5)13-12-29(43(3,4)27(44)11-14-46(28,45)7)62-39-37(57)38(24(50)20-59-39)63-40-35(55)33(53)31(51)25(18-48)60-40/h8,21-22,24-41,48-57H,9-20H2,1-7H3/t21-,22+,24+,25-,26-,27?,28?,29+,30+,31-,32-,33+,34+,35-,36-,37-,38+,39+,40+,41+,44+,45-,46-,47+/m1/s1
C47H76O17913.09614200
30791635

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C47H76O17/c1-22-30(50)33(53)35(55)38(61-22)60-20-26-32(52)34(54)36(56)39(62-26)64-37-31(51)25(49)19-59-40(37)63-29-11-12-43(4)27(44(29,5)21-48)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/h8,22,24-40,48-56H,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-,43-,44-,45+,46+,47-/m0/s1
C47H76O17913.09613300
10248970

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C47H76O17/c1-42(2)14-16-47(41(57)58)17-15-45(6)22(23(47)18-42)8-9-28-44(5)12-11-29(43(3,4)27(44)10-13-46(28,45)7)62-40-37(64-38-34(55)30(51)24(50)21-59-38)36(32(53)26(20-49)61-40)63-39-35(56)33(54)31(52)25(19-48)60-39/h8,23-40,48-56H,9-21H2,1-7H3,(H,57,58)/t23-,24+,25+,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36-,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1
C47H76O17913.09613300
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
82964744

22 of 24 defined stereocentres - 22/24 defined
InChI=1/C47H76O17/c1-21-11-16-47(41(56)57)18-17-44(6)23(37(47)46(21,8)58)9-10-27-43(5)14-13-28(42(3,4)26(43)12-15-45(27,44)7)62-39-35(30(51)24(49)20-59-39)64-40-36(33(54)31(52)25(19-48)61-40)63-38-34(55)32(53)29(50)22(2)60-38/h9,21-22,24-40,48-55,58H,10-20H2,1-8H3,(H,56,57)/t21-,22-,24+,25+,26?,27?,28-,29-,30-,31+,32+,33-,34+,35+,36+,37+,38-,39-,40-,43-,44+,45+,46+,47-/m1/s1
C47H76O17913.09613200
12345

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