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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 21 results

Search term: C48H74O19 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10252027

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C48H74O19/c1-19(2)22-9-12-48(14-13-45(6)24(30(22)48)15-25-40-46(45,7)11-10-23(20(3)4)47(40,8)28(50)16-29(51)63-25)44(60)67-43-37(58)34(55)32(53)27(65-43)18-61-41-38(59)35(56)39(26(17-49)64-41)66-42-36(57)33(54)31(52)21(5)62-42/h21-28,30-43,49-50,52-59H,1,3,9-18H2,2,4-8H3/t21-,22-,23-,24+,25+,26+,27+,28+,30+,31-,32+,33+,34-,35+,36+,37+,38+,39+,40-,41+,42-,43-,45+,46+,47+,48-/m0/s1
C48H74O19955.08985500
84482968

22 of 24 defined stereocentres - 22/24 defined
InChI=1/C48H74O19/c1-20-28(51)30(53)34(57)39(62-20)66-36-31(54)29(52)23(19-49)63-40(36)67-37-33(56)32(55)35(38(58)59)65-41(37)64-27-12-13-46(6)24(43(27,2)3)11-14-48(8)25(46)10-9-21-22-17-44(4,42(60)61)18-26(50)45(22,5)15-16-47(21,48)7/h9,20,22-25,27-37,39-41,49,51-57H,10-19H2,1-8H3,(H,58,59)(H,60,61)/t20-,22-,23+,24?,25?,27-,28-,29-,30+,31-,32-,33-,34+,35-,36+,37+,39-,40-,41+,44-,45+,46-,47+,48+/m0/s1
C48H74O19955.08985300
58133006

24 of 24 defined stereocentres - 24/24 defined
InChI=1/C48H74O19/c1-19-26(50)27(51)32(56)40(62-19)64-25-18-43(2,3)17-21-20-16-22(49)37-46(7)12-11-24(44(4,5)23(46)10-13-48(37,9)47(20,8)15-14-45(21,25)6)63-42-36(31(55)30(54)35(66-42)39(60)61)67-41-33(57)28(52)29(53)34(65-41)38(58)59/h16,19,21,23-37,40-42,50-57H,10-15,17-18H2,1-9H3,(H,58,59)(H,60,61)/t19-,21-,23-,24-,25+,26-,27+,28-,29-,30-,31-,32+,33+,34-,35-,36+,37+,40-,41-,42+,45+,46-,47+,48+/m0/s1
C48H74O19955.08982200
8209417

Double-bond stereo

20 of 22 defined stereocentres - 20/22 defined
InChI=1/C48H74O19/c1-9-21(2)41(60)67-39-38(57)48(20-63-22(3)50)25(17-44(39,4)5)23-10-11-27-45(6,24(23)16-29(48)51)14-12-28-46(27,7)15-13-30(47(28,8)19-49)65-43-35(56)36(34(55)37(66-43)40(58)59)62-18-26-31(52)32(53)33(54)42(61)64-26/h9-10,24-39,42-43,49,51-57,61H,11-20H2,1-8H3,(H,58,59)/b21-9+/t24-,25?,26-,27+,28?,29+,30+,31-,32+,33-,34+,35-,36+,37+,38+,39+,42-,43-,45+,46-,47+,48+/m1/s1
C48H74O19955.08982100
8876424

23 of 25 defined stereocentres - 23/25 defined
InChI=1/C48H74O19/c1-19-28(51)30(53)34(57)39(61-19)66-36-31(54)29(52)22(18-49)62-40(36)67-37-33(56)32(55)35(38(58)59)65-41(37)63-26-12-13-45(6)23(44(26,4)5)11-14-46(7)24(45)10-9-20-21-15-43(2,3)16-25(50)48(21)17-27(47(20,46)8)64-42(48)60/h9,19,21-37,39-41,49-57H,10-18H2,1-8H3,(H,58,59)/t19-,21?,22+,23?,24+,25-,26-,27+,28-,29+,30+,31-,32-,33-,34+,35-,36+,37+,39-,40-,41+,45-,46+,47-,48-/m0/s1
C48H74O19955.08982100
9746350

16 of 19 defined stereocentres - 16/19 defined
InChI=1/C48H74O19/c1-43(2)16-18-48(42(59)67-39-32(53)31(52)30(51)25(21-49)63-39)19-17-46(6)23(24(48)20-43)10-11-27-45(5)14-13-28(44(3,4)26(45)12-15-47(27,46)7)64-40-34(55)35(33(54)36(66-40)37(56)57)65-41(38(58)61-9)62-22-29(50)60-8/h10,24-28,30-36,39-41,49,51-55H,11-22H2,1-9H3,(H,56,57)/t24?,25-,26?,27?,28+,30-,31+,32-,33+,34-,35+,36+,39+,40-,41+,45+,46-,47-,48+/m1/s1
C48H74O19955.08982100
9941111

25 of 26 defined stereocentres - 25/26 defined
InChI=1/C48H74O19/c1-19(2)22-9-12-48(14-13-45(6)24(30(22)48)15-25-40-46(45,7)11-10-23(20(3)4)47(40,8)28(50)16-29(51)63-25)44(60)67-43-37(58)34(55)32(53)27(65-43)18-61-41-38(59)35(56)39(26(17-49)64-41)66-42-36(57)33(54)31(52)21(5)62-42/h21-28,30-43,49-50,52-59H,1,3,9-18H2,2,4-8H3/t21-,22-,23-,24+,25+,26+,27+,28+,30+,31-,32+,33+,34-,35+,36+,37+,38+,39+,40-,41+,42-,43-,45+,46+,47+,48?/m0/s1
C48H74O19955.08982100
17253907

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C48H74O19/c1-43(2)26-9-12-48(7)37(23(50)17-21-22-18-45(4,42(60)61-8)14-13-44(22,3)15-16-47(21,48)6)46(26,5)11-10-27(43)64-41-36(67-40-32(56)30(54)29(53)25(19-49)63-40)34(33(57)35(66-41)38(58)59)65-39-31(55)28(52)24(51)20-62-39/h17,22,24-37,39-41,49,51-57H,9-16,18-20H2,1-8H3,(H,58,59)/t22-,24+,25+,26-,27-,28-,29-,30-,31+,32+,33-,34-,35-,36+,37+,39-,40-,41+,44+,45-,46-,47+,48+/m0/s1
C48H74O19955.08981100
24785480

Charge

0 of 23 defined stereocentres - 0/23 defined
InChI=1/C48H76O19/c1-43(2)14-16-48(42(60)61)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-34(57)35(65-39-32(55)30(53)28(51)23(19-49)62-39)36(37(67-41)38(58)59)66-40-33(56)31(54)29(52)24(20-50)63-40/h8,22-37,39-41,49-57H,9-20H2,1-7H3,(H,58,59)(H,60,61)/p-2
C48H74O19955.09091100
28507186

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C48H74O19/c1-19-28(51)30(53)34(57)39(61-19)66-36-31(54)29(52)22(18-49)62-40(36)67-37-33(56)32(55)35(38(58)59)65-41(37)63-26-12-13-45(6)23(44(26,4)5)11-14-46(7)24(45)10-9-20-21-15-43(2,3)16-25(50)48(21)17-27(47(20,46)8)64-42(48)60/h9,19,21-37,39-41,49-57H,10-18H2,1-8H3,(H,58,59)/t19-,21-,22+,23-,24+,25-,26-,27+,28-,29+,30+,31-,32-,33-,34+,35-,36+,37+,39-,40-,41+,45-,46+,47-,48-/m0/s1
C48H74O19955.08981100
58910739

24 of 24 defined stereocentres - 24/24 defined
InChI=1/C48H74O19/c1-21-28(51)30(53)32(55)39(62-21)65-35-34(57)36(38(58)59)66-41(37(35)67-40-33(56)31(54)29(52)24(19-49)63-40)64-27-11-12-44(4)25(45(27,5)20-50)10-13-47(7)26(44)9-8-22-23-18-43(2,3)14-16-48(23,42(60)61)17-15-46(22,47)6/h8,20-21,23-37,39-41,49,51-57H,9-19H2,1-7H3,(H,58,59)(H,60,61)/t21-,23+,24?,25-,26?,27+,28+,29+,30+,31?,32+,33?,34?,35-,36?,37-,39-,40-,41-,44?,45+,46?,47-,48?/m0/s1
C48H74O19955.08981100
58922195

24 of 24 defined stereocentres - 24/24 defined
InChI=1/C48H74O19/c1-19-26(50)27(51)32(56)40(62-19)64-25-18-43(2,3)17-21-20-16-22(49)37-46(7)12-11-24(44(4,5)23(46)10-13-48(37,9)47(20,8)15-14-45(21,25)6)63-42-36(31(55)30(54)35(66-42)39(60)61)67-41-33(57)28(52)29(53)34(65-41)38(58)59/h16,19,21,23-37,40-42,50-57H,10-15,17-18H2,1-9H3,(H,58,59)(H,60,61)/t19-,21+,23-,24+,25-,26+,27+,28-,29+,30+,31+,32-,33+,34+,35+,36+,37+,40-,41-,42-,45+,46-,47+,48-/m1/s1
C48H74O19955.08981100
76818778

24 of 24 defined stereocentres - 24/24 defined
InChI=1/C48H74O19/c1-19-26(50)27(51)32(56)40(62-19)64-25-18-43(2,3)17-21-20-16-22(49)37-46(7)12-11-24(44(4,5)23(46)10-13-48(37,9)47(20,8)15-14-45(21,25)6)63-42-36(31(55)30(54)35(66-42)39(60)61)67-41-33(57)28(52)29(53)34(65-41)38(58)59/h16,19,21,23-37,40-42,50-57H,10-15,17-18H2,1-9H3,(H,58,59)(H,60,61)/t19-,21-,23-,24+,25+,26+,27+,28-,29+,30+,31-,32+,33+,34+,35+,36-,37+,40-,41+,42-,45-,46-,47-,48-/m1/s1
C48H74O19955.08981100
98651489

24 of 24 defined stereocentres - 24/24 defined
InChI=1/C48H74O19/c1-21-28(51)30(53)32(55)39(62-21)65-35-34(57)36(38(58)59)66-41(37(35)67-40-33(56)31(54)29(52)24(19-49)63-40)64-27-11-12-44(4)25(45(27,5)20-50)10-13-47(7)26(44)9-8-22-23-18-43(2,3)14-16-48(23,42(60)61)17-15-46(22,47)6/h8,20-21,23-37,39-41,49,51-57H,9-19H2,1-7H3,(H,58,59)(H,60,61)/t21-,23-,24+,25+,26+,27-,28-,29-,30+,31-,32+,33+,34-,35-,36-,37+,39-,40-,41+,44-,45-,46+,47+,48-/m0/s1
C48H74O19955.08981100
108539517

24 of 25 defined stereocentres - 24/25 defined
InChI=1/C48H74O19/c1-19-28(51)30(53)34(57)39(61-19)66-36-31(54)29(52)22(18-49)62-40(36)67-37-33(56)32(55)35(38(58)59)65-41(37)63-26-12-13-45(6)23(44(26,4)5)11-14-46(7)24(45)10-9-20-21-15-43(2,3)16-25(50)48(21)17-27(47(20,46)8)64-42(48)60/h9,19,21-37,39-41,49-57H,10-18H2,1-8H3,(H,58,59)/t19-,21-,22+,23-,24+,25-,26-,27?,28-,29+,30+,31-,32-,33-,34+,35-,36+,37+,39-,40-,41+,45-,46+,47-,48-/m0/s1
C48H74O19955.08981100
113589365

22 of 24 defined stereocentres - 22/24 defined
InChI=1/C48H74O19/c1-20-28(51)30(53)34(57)39(62-20)66-36-31(54)29(52)23(19-49)63-40(36)67-37-33(56)32(55)35(38(58)59)65-41(37)64-27-12-13-46(6)24(43(27,2)3)11-14-48(8)25(46)10-9-21-22-17-44(4,42(60)61)18-26(50)45(22,5)15-16-47(21,48)7/h9,20,22-25,27-37,39-41,49,51-57H,10-19H2,1-8H3,(H,58,59)(H,60,61)/t20-,22-,23+,24?,25?,27-,28-,29-,30+,31-,32-,33-,34+,35-,36+,37+,39-,40-,41+,44-,45+,46-,47+,48+/m1/s1
C48H74O19955.08981100
128920980

Charge

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C48H76O19/c1-43(2)14-16-48(42(60)61)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-34(57)35(65-39-32(55)30(53)28(51)23(19-49)62-39)36(37(67-41)38(58)59)66-40-33(56)31(54)29(52)24(20-50)63-40/h8,22-37,39-41,49-57H,9-20H2,1-7H3,(H,58,59)(H,60,61)/p-2/t22-,23+,24+,25-,26+,27-,28-,29+,30-,31-,32+,33+,34+,35+,36-,37-,39-,40-,41+,45-,46+,47+,48-/m0/s1
C48H74O19955.09091100
129305634

24 of 24 defined stereocentres - 24/24 defined
InChI=1/C48H74O19/c1-19-26(50)27(51)32(56)40(62-19)64-25-18-43(2,3)17-21-20-16-22(49)37-46(7)12-11-24(44(4,5)23(46)10-13-48(37,9)47(20,8)15-14-45(21,25)6)63-42-36(31(55)30(54)35(66-42)39(60)61)67-41-33(57)28(52)29(53)34(65-41)38(58)59/h16,19,21,23-37,40-42,50-57H,10-15,17-18H2,1-9H3,(H,58,59)(H,60,61)/t19-,21-,23-,24-,25+,26-,27+,28+,29+,30+,31+,32+,33-,34+,35+,36-,37+,40-,41+,42-,45+,46-,47+,48+/m1/s1
C48H74O19955.08981100
12

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