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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 54 results

Search term: C48H76O18 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
571084

24 of 24 defined stereocentres - 24/24 defined
InChI=1/C48H76O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-26,28-38,40-42,49-50,52-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25+,26+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1
C48H76O18941.1062181500
8616296

22 of 24 defined stereocentres - 22/24 defined
InChI=1/C48H76O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-26,28-38,40-42,49-50,52-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25?,26?,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1
C48H76O18941.106210900
10251893

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C48H76O18/c1-43(2)15-17-48(42(59)66-40-33(55)31(53)30(52)25(20-49)62-40)18-16-46(6)22(23(48)19-43)9-10-27-45(5)13-12-28(44(3,4)26(45)11-14-47(27,46)7)63-41-35(57)36(34(56)37(65-41)38(58)60-8)64-39-32(54)29(51)24(50)21-61-39/h9,23-37,39-41,49-57H,10-21H2,1-8H3/t23-,24-,25+,26-,27+,28-,29-,30+,31-,32+,33+,34-,35+,36-,37-,39-,40-,41+,45-,46+,47+,48-/m0/s1
C48H76O18941.106210800
10269082

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C48H76O18/c1-21-28(50)30(52)32(54)39(61-21)64-36-34(56)37(38(58)59)65-41(35(36)57)63-27-12-13-45(6)25(44(27,4)5)11-14-47(8)26(45)10-9-22-23-19-43(2,3)15-17-48(23,18-16-46(22,47)7)42(60)66-40-33(55)31(53)29(51)24(20-49)62-40/h9,21,23-37,39-41,49-57H,10-20H2,1-8H3,(H,58,59)/t21-,23-,24+,25-,26+,27-,28-,29+,30+,31-,32+,33+,34-,35+,36-,37-,39-,40-,41+,45-,46+,47+,48-/m0/s1
C48H76O18941.10628800
390489

24 of 24 defined stereocentres - 24/24 defined
InChI=1/C48H76O18/c1-22(2)15-24-16-46(8,57)39-25-9-10-30-44(6)13-12-31(43(4,5)29(44)11-14-45(30,7)47(25)20-48(39,66-24)60-21-47)63-41-38(61-23(3)50)36(27(52)19-59-41)64-42-37(34(55)33(54)28(17-49)62-42)65-40-35(56)32(53)26(51)18-58-40/h15,24-42,49,51-57H,9-14,16-21H2,1-8H3/t24-,25+,26+,27-,28+,29-,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40-,41-,42-,44-,45+,46-,47-,48-/m0/s1
C48H76O18941.10627720
22913384

21 of 23 defined stereocentres - 21/23 defined
InChI=1/C48H76O18/c1-21-28(50)29(51)33(55)39(61-21)64-36-24(20-49)62-40(35(57)32(36)54)66-42(60)48-17-15-43(2,3)19-23(48)22-9-10-26-45(6)13-12-27(63-41-34(56)30(52)31(53)37(65-41)38(58)59)44(4,5)25(45)11-14-47(26,8)46(22,7)16-18-48/h9,21,23-37,39-41,49-57H,10-20H2,1-8H3,(H,58,59)/t21-,23-,24+,25?,26?,27-,28-,29+,30-,31-,32+,33+,34+,35+,36+,37-,39-,40-,41+,45-,46+,47+,48-/m0/s1
C48H76O18941.10626300
22913435

21 of 23 defined stereocentres - 21/23 defined
InChI=1/C48H76O18/c1-21-28(50)30(52)32(54)39(61-21)64-36-34(56)37(38(58)59)65-41(35(36)57)63-27-12-13-45(6)25(44(27,4)5)11-14-47(8)26(45)10-9-22-23-19-43(2,3)15-17-48(23,18-16-46(22,47)7)42(60)66-40-33(55)31(53)29(51)24(20-49)62-40/h9,21,23-37,39-41,49-57H,10-20H2,1-8H3,(H,58,59)/t21-,23-,24+,25?,26?,27-,28-,29+,30+,31-,32+,33+,34-,35+,36-,37-,39-,40-,41+,45-,46+,47+,48-/m0/s1
C48H76O18941.10626300
29814481

22 of 24 defined stereocentres - 22/24 defined
InChI=1/C48H76O18/c1-20-27(50)28(51)33(56)40(61-20)65-37-32(55)30(53)35(39(59)60)64-42(37)66-36-31(54)29(52)34(38(57)58)63-41(36)62-26-13-14-46(7)23(44(26,4)5)12-15-48(9)24(46)11-10-21-22-18-43(2,3)19-25(49)45(22,6)16-17-47(21,48)8/h10,20,22-37,40-42,49-56H,11-19H2,1-9H3,(H,57,58)(H,59,60)/t20-,22-,23?,24?,25+,26-,27-,28+,29-,30+,31-,32-,33+,34-,35-,36+,37+,40-,41+,42-,45+,46-,47+,48+/m0/s1
C48H76O18941.10626400
30791207

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C48H76O18/c1-21-28(50)30(52)33(55)39(61-21)64-36-32(54)35(57)41(65-37(36)38(58)59)63-27-12-13-45(6)25(44(27,4)5)11-14-47(8)26(45)10-9-22-23-19-43(2,3)15-17-48(23,18-16-46(22,47)7)42(60)66-40-34(56)31(53)29(51)24(20-49)62-40/h9,21,23-37,39-41,49-57H,10-20H2,1-8H3,(H,58,59)/t21-,23-,24+,25-,26+,27-,28-,29+,30+,31-,32+,33+,34+,35+,36-,37-,39-,40-,41+,45-,46+,47+,48-/m0/s1
C48H76O18941.10626600
114951871

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C48H76O18/c1-21-28(50)30(52)32(54)39(61-21)64-36-34(56)37(38(58)59)65-41(35(36)57)63-27-12-13-45(6)25(44(27,4)5)11-14-47(8)26(45)10-9-22-23-19-43(2,3)15-17-48(23,18-16-46(22,47)7)42(60)66-40-33(55)31(53)29(51)24(20-49)62-40/h9,21,23-37,39-41,49-57H,10-20H2,1-8H3,(H,58,59)/t21-,23-,24+,25-,26+,27+,28-,29+,30+,31-,32+,33+,34-,35+,36-,37-,39-,40-,41+,45-,46+,47+,48-/m0/s1
C48H76O18941.10624400
26347641

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C48H76O18/c1-43(2)15-17-48(42(59)66-40-34(56)31(53)29(51)24(20-49)62-40)18-16-46(6)22(23(48)19-43)9-10-27-45(5)13-12-28(44(3,4)26(45)11-14-47(27,46)7)63-41-35(57)32(54)36(37(65-41)38(58)60-8)64-39-33(55)30(52)25(21-50)61-39/h9,23-37,39-41,49-57H,10-21H2,1-8H3/t23-,24+,25-,26-,27+,28-,29+,30-,31-,32+,33+,34+,35+,36-,37-,39-,40-,41+,45-,46+,47+,48-/m0/s1
C48H76O18941.10624400
9767978

24 of 24 defined stereocentres - 24/24 defined
InChI=1/C48H76O18/c1-21(2)24-11-16-48(18-17-46(7)26(31(24)48)9-10-29-45(6,14-13-30(50)51)25(22(3)4)12-15-47(29,46)8)44(60)66-43-38(58)35(55)33(53)28(64-43)20-61-41-39(59)36(56)40(27(19-49)63-41)65-42-37(57)34(54)32(52)23(5)62-42/h23-29,31-43,49,52-59H,1,3,9-20H2,2,4-8H3,(H,50,51)/t23-,24-,25-,26+,27+,28+,29+,31+,32-,33+,34+,35-,36+,37+,38+,39+,40+,41+,42-,43-,45-,46+,47+,48-/m0/s1
C48H76O18941.10624300
143846

23 of 24 defined stereocentres - 23/24 defined
InChI=1/C48H76O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-26,28-38,40-42,49-50,52-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25+,26+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42?,44+,45-,46+,47+,48+/m0/s1
C48H76O18941.10624400
9978612

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C48H76O18/c1-21-30(52)32(54)35(57)40(62-21)65-38-24(19-49)63-39(37(59)34(38)56)61-20-25-31(53)33(55)36(58)41(64-25)66-42(60)48-16-15-46(7)22(23(48)17-43(2,3)29(51)18-48)9-10-27-45(6)13-12-28(50)44(4,5)26(45)11-14-47(27,46)8/h9,21,23-28,30-41,49-50,52-59H,10-20H2,1-8H3/t21-,23-,24+,25+,26-,27+,28+,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40-,41-,45-,46+,47+,48+/m0/s1
C48H76O18941.10623200
390509

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C48H76O18/c1-21-28(50)30(52)33(55)39(61-21)64-36-32(54)35(57)41(65-37(36)38(58)59)63-27-12-13-45(6)25(44(27,4)5)11-14-47(8)26(45)10-9-22-23-19-43(2,3)15-17-48(23,18-16-46(22,47)7)42(60)66-40-34(56)31(53)29(51)24(20-49)62-40/h9,21,23-37,39-41,49-57H,10-20H2,1-8H3,(H,58,59)/t21-,23+,24-,25+,26-,27+,28+,29-,30-,31+,32-,33-,34-,35-,36+,37+,39+,40+,41-,45+,46-,47-,48+/m1/s1
C48H76O18941.10623300
3681296

0 of 24 defined stereocentres - 0/24 defined
InChI=1/C48H76O18/c1-22(2)15-24-16-46(8,57)39-25-9-10-30-44(6)13-12-31(43(4,5)29(44)11-14-45(30,7)47(25)20-48(39,66-24)60-21-47)63-41-38(61-23(3)50)36(27(52)19-59-41)64-42-37(34(55)33(54)28(17-49)62-42)65-40-35(56)32(53)26(51)18-58-40/h15,24-42,49,51-57H,9-14,16-21H2,1-8H3
C48H76O18941.10623999999833400
8757079

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C48H76O18/c1-22-30(52)32(54)35(57)40(62-22)65-38-25(19-49)63-39(37(59)34(38)56)61-20-26-31(53)33(55)36(58)41(64-26)66-42(60)48-16-14-43(2,3)18-24(48)23-8-9-28-44(4)12-11-29(51)45(5,21-50)27(44)10-13-47(28,7)46(23,6)15-17-48/h8,22,24-28,30-41,49-50,52-59H,9-21H2,1-7H3/t22-,24-,25+,26+,27+,28+,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40-,41-,44-,45-,46+,47+,48-/m0/s1
C48H76O18941.10623200
8852661

24 of 25 defined stereocentres - 24/25 defined
InChI=1/C48H76O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,20-21,23-38,40-42,49,51-58H,10-19H2,1-8H3,(H,59,60)/t21-,23-,24+,25?,26+,27+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1
C48H76O18941.10622100
8899873

24 of 25 defined stereocentres - 24/25 defined
InChI=1/C48H76O18/c1-22-30(53)37(65-39-35(58)33(56)31(54)23(18-49)62-39)38(66-40-36(59)34(57)32(55)24(19-50)63-40)41(61-22)64-29-10-11-43(4)25(44(29,5)20-51)8-12-45(6)26(43)9-13-48-27-16-42(2,3)14-15-47(27,21-60-48)28(52)17-46(45,48)7/h9,13,22-27,29-41,49-51,53-59H,8,10-12,14-21H2,1-7H3/t22-,23-,24-,25?,26-,27-,29+,30+,31-,32-,33+,34+,35-,36-,37+,38-,39+,40+,41+,43+,44+,45-,46+,47-,48+/m1/s1
C48H76O18941.10622100
9941066

21 of 23 defined stereocentres - 21/23 defined
InChI=1/C48H76O18/c1-21-28(50)30(52)34(56)39(61-21)65-36-31(53)29(51)24(20-49)62-40(36)66-37-33(55)32(54)35(38(57)58)64-41(37)63-27-12-13-45(6)25(44(27,4)5)11-14-47(8)26(45)10-9-22-23-19-43(2,3)15-17-48(23,42(59)60)18-16-46(22,47)7/h9,21,23-37,39-41,49-56H,10-20H2,1-8H3,(H,57,58)(H,59,60)/t21-,23?,24+,25?,26+,27-,28-,29+,30+,31-,32-,33-,34+,35-,36+,37+,39-,40-,41+,45-,46+,47+,48-/m0/s1
C48H76O18941.10622100
123

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