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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 73 results

Search term: C47H76O18 (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58790053

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C47H76O18/c1-42(2)13-15-47(41(59)65-40-37(58)34(55)32(53)26(63-40)20-61-38-36(57)33(54)31(52)25(18-48)62-38)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(64-39-35(56)30(51)24(50)19-60-39)44(4,21-49)27(43)9-12-46(28,45)6/h7,23-40,48-58H,8-21H2,1-6H3/t23-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+,39-,40-,43-,44-,45+,46+,47-/m0/s1
C47H76O18929.0955293000
8051944

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C47H76O18/c1-21(2)14-22-18-58-47-19-46(20-59-47)23(38(47)45(22,7)57)8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-44(28,46)6)63-41-37(65-39-34(55)31(52)25(16-49)61-39)36(32(53)26(17-50)62-41)64-40-35(56)33(54)30(51)24(15-48)60-40/h14,22-41,48-57H,8-13,15-20H2,1-7H3/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-/m1/s1
C47H76O18929.0955222400
32818704

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C47H76O18/c1-21(2)14-22-15-45(7,57)38-23-8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-44(28,6)46(23)19-47(38,65-22)58-20-46)62-41-37(64-39-34(55)31(52)25(17-49)60-39)36(32(53)26(18-50)61-41)63-40-35(56)33(54)30(51)24(16-48)59-40/h14,22-41,48-57H,8-13,15-20H2,1-7H3/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
C47H76O18929.0955222800
10252037

24 of 24 defined stereocentres - 24/24 defined
InChI=1/C47H76O18/c1-21-10-15-47(41(58)65-39-35(57)33(55)31(53)25(19-49)62-39)17-16-44(5)22(37(47)46(21,7)59)8-9-27-43(4)13-12-28(42(2,3)26(43)11-14-45(27,44)6)63-40-36(29(51)23(50)20-60-40)64-38-34(56)32(54)30(52)24(18-48)61-38/h8,21,23-40,48-57,59H,9-20H2,1-7H3/t21-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,43-,44+,45+,46+,47-/m0/s1
C47H76O18929.09558800
28536217

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C47H76O18/c1-21(2)14-22-18-58-47-19-46(20-59-47)23(38(47)45(22,7)57)8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-44(28,46)6)63-41-37(65-39-34(55)31(52)25(16-49)61-39)36(32(53)26(17-50)62-41)64-40-35(56)33(54)30(51)24(15-48)60-40/h14,22-41,48-57H,8-13,15-20H2,1-7H3/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-/m1/s1
C47H76O18929.09558800
22913196

21 of 23 defined stereocentres - 21/23 defined
InChI=1/C47H76O18/c1-42(2)13-15-47(41(59)65-40-37(58)34(55)32(53)26(63-40)20-61-38-36(57)33(54)31(52)25(18-48)62-38)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(64-39-35(56)30(51)24(50)19-60-39)44(4,21-49)27(43)9-12-46(28,45)6/h7,23-40,48-58H,8-21H2,1-6H3/t23-,24-,25+,26+,27?,28?,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+,39-,40-,43-,44-,45+,46+,47-/m0/s1
C47H76O18929.09556300
71041983

24 of 24 defined stereocentres - 24/24 defined
InChI=1/C47H76O18/c1-21-10-15-47(41(58)65-39-35(57)33(55)31(53)25(19-49)62-39)17-16-44(5)22(37(47)46(21,7)59)8-9-27-43(4)13-12-28(42(2,3)26(43)11-14-45(27,44)6)63-40-36(29(51)23(50)20-60-40)64-38-34(56)32(54)30(52)24(18-48)61-38/h8,21,23-40,48-57,59H,9-20H2,1-7H3/t21-,23-,24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,36-,37-,38+,39+,40+,43+,44-,45-,46-,47+/m1/s1
C47H76O18929.09556500
165807

23 of 24 defined stereocentres - 23/24 defined
InChI=1/C47H76O18/c1-21-30(52)33(55)35(57)38(61-21)64-37-31(53)24(50)19-60-40(37)63-29-11-12-43(4)26(44(29,5)20-49)10-13-45(6)27(43)9-8-22-23-16-42(2,3)14-15-47(23,28(51)17-46(22,45)7)41(59)65-39-36(58)34(56)32(54)25(18-48)62-39/h8,21,23-40,48-58H,9-20H2,1-7H3/t21-,23+,24-,25+,26?,27+,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38-,39-,40-,43-,44-,45+,46+,47+/m0/s1
C47H76O18929.09556500
28420757

22 of 23 defined stereocentres - 22/23 defined
InChI=1/C47H76O18/c1-42(2)13-15-47(41(59)65-40-37(58)34(55)32(53)26(63-40)20-61-38-36(57)33(54)31(52)25(18-48)62-38)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(64-39-35(56)30(51)24(50)19-60-39)44(4,21-49)27(43)9-12-46(28,45)6/h7,23-40,48-58H,8-21H2,1-6H3/t23-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38?,39-,40-,43-,44-,45+,46+,47-/m0/s1
C47H76O18929.09556400
74849336

22 of 23 defined stereocentres - 22/23 defined
InChI=1/C47H76O18/c1-42(2)13-15-47(41(59)65-40-37(58)34(55)32(53)26(63-40)20-61-38-36(57)33(54)31(52)25(18-48)62-38)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(64-39-35(56)30(51)24(50)19-60-39)44(4,21-49)27(43)9-12-46(28,45)6/h7,23-40,48-58H,8-21H2,1-6H3/t23-,24-,25+,26+,27?,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+,39-,40-,43-,44-,45+,46+,47-/m0/s1
C47H76O18929.09555400
30786455

24 of 24 defined stereocentres - 24/24 defined
InChI=1/C47H76O18/c1-42(2)12-13-47(20-50)21(15-42)30-22(51)14-27-44(5)10-9-29(43(3,4)26(44)8-11-45(27,6)46(30,7)16-28(47)52)64-41-38(65-40-37(59)35(57)32(54)24(18-49)62-40)33(55)25(19-60-41)63-39-36(58)34(56)31(53)23(17-48)61-39/h20-21,23-41,48-49,52-59H,8-19H2,1-7H3/t21-,23+,24+,25-,26-,27+,28+,29-,30-,31+,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,44-,45+,46+,47+/m0/s1
C47H76O18929.09554500
434581

0 of 24 defined stereocentres - 0/24 defined
InChI=1/C47H76O18/c1-21(48)61-34-25(52)19-60-40(35(34)64-39-33(56)31(54)24(51)18-59-39)63-28-10-12-47-20-46(47)14-13-43(6)36(45(8)11-9-29(65-45)42(4,5)57)22(49)16-44(43,7)27(46)15-26(37(47)41(28,2)3)62-38-32(55)30(53)23(50)17-58-38/h22-40,49-57H,9-20H2,1-8H3
C47H76O18929.09554300
9962553

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C47H76O18/c1-19-8-13-47(57-18-19)20(2)32-30(65-47)16-27-25-15-29(60-23(5)49)28-14-24(9-11-45(28,6)26(25)10-12-46(27,32)7)61-44-41(64-43-38(55)36(53)34(51)22(4)59-43)39(56)40(31(17-48)62-44)63-42-37(54)35(52)33(50)21(3)58-42/h19-22,24-44,48,50-56H,8-18H2,1-7H3/t19-,20+,21+,22+,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
C47H76O18929.09554300
10269638

24 of 24 defined stereocentres - 24/24 defined
InChI=1/C47H76O18/c1-21-10-15-47(41(58)65-40-34(56)32(54)30(52)25(19-49)62-40)17-16-44(5)22(37(47)46(21,7)59)8-9-27-43(4)13-12-28(42(2,3)26(43)11-14-45(27,44)6)63-38-35(57)36(23(50)20-60-38)64-39-33(55)31(53)29(51)24(18-48)61-39/h8,21,23-40,48-57,59H,9-20H2,1-7H3/t21-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34-,35-,36+,37-,38+,39+,40+,43+,44-,45-,46-,47+/m1/s1
C47H76O18929.09553300
345807

10 of 24 defined stereocentres - 10/24 defined
InChI=1/C47H76O18/c1-21(48)61-34-25(52)19-60-40(35(34)64-39-33(56)31(54)24(51)18-59-39)63-28-10-12-47-20-46(47)14-13-43(6)36(45(8)11-9-29(65-45)42(4,5)57)22(49)16-44(43,7)27(46)15-26(37(47)41(28,2)3)62-38-32(55)30(53)23(50)17-58-38/h22-40,49-57H,9-20H2,1-8H3/t22-,23?,24?,25?,26-,27?,28-,29-,30?,31?,32?,33?,34?,35?,36?,37-,38?,39?,40?,43+,44-,45+,46-,47+/m0/s1
C47H76O18929.09553200
23264715

24 of 24 defined stereocentres - 24/24 defined
InChI=1/C47H76O18/c1-21(48)61-34-25(52)19-60-40(35(34)64-39-33(56)31(54)24(51)18-59-39)63-28-10-12-47-20-46(47)14-13-43(6)36(45(8)11-9-29(65-45)42(4,5)57)22(49)16-44(43,7)27(46)15-26(37(47)41(28,2)3)62-38-32(55)30(53)23(50)17-58-38/h22-40,49-57H,9-20H2,1-8H3/t22-,23+,24-,25+,26-,27-,28-,29+,30-,31-,32+,33+,34-,35+,36-,37-,38-,39-,40-,43+,44-,45+,46-,47+/m0/s1
C47H76O18929.09553300
23339494

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C47H76O18/c1-21(2)14-22-15-45(7,57)38-23-8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-44(28,6)46(23)19-47(38,65-22)58-20-46)62-41-37(64-39-34(55)31(52)25(17-49)60-39)36(32(53)26(18-50)61-41)63-40-35(56)33(54)30(51)24(16-48)59-40/h14,22-41,48-57H,8-13,15-20H2,1-7H3/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
C47H76O18929.09553600
82965089

22 of 24 defined stereocentres - 22/24 defined
InChI=1/C47H76O18/c1-21-10-15-47(41(58)65-39-35(57)33(55)31(53)25(19-49)62-39)17-16-44(5)22(37(47)46(21,7)59)8-9-27-43(4)13-12-28(42(2,3)26(43)11-14-45(27,44)6)63-40-36(29(51)23(50)20-60-40)64-38-34(56)32(54)30(52)24(18-48)61-38/h8,21,23-40,48-57,59H,9-20H2,1-7H3/t21-,23+,24+,25+,26?,27?,28-,29-,30+,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,43-,44+,45+,46+,47-/m1/s1
C47H76O18929.09553200
58191126

21 of 23 defined stereocentres - 21/23 defined
InChI=1/C47H76O18/c1-42(2)13-15-47(41(58)59)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(44(4,21-50)27(43)9-12-46(28,45)6)63-40-37(65-39-35(57)33(55)31(53)26(19-49)62-39)36(24(51)20-60-40)64-38-34(56)32(54)30(52)25(18-48)61-38/h7,23-40,48-57H,8-21H2,1-6H3,(H,58,59)/t23-,24+,25-,26-,27?,28-,29+,30-,31-,32+,33+,34-,35-,36+,37-,38-,39-,40+,43+,44?,45-,46-,47+/m1/s1
C47H76O18929.09553200
9575265

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C47H76O18/c1-42(2)13-15-47(41(58)59)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(44(4,21-50)27(43)9-12-46(28,45)6)63-38-34(56)36(24(51)20-60-38)64-40-35(57)37(31(53)26(19-49)62-40)65-39-33(55)32(54)30(52)25(18-48)61-39/h7,23-40,48-57H,8-21H2,1-6H3,(H,58,59)/t23-,24-,25+,26+,27+,28+,29-,30+,31+,32-,33+,34+,35+,36-,37-,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1
C47H76O18929.09552100
1234

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