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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 10 results

Search term: SLAWMGMTBGDBFT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
62811630

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H72O14/c1-20(9-13-27(44)39(4,5)52)21-15-16-40(6)26-12-10-22-23(42(26,8)28(45)17-41(21,40)7)11-14-29(38(22,2)3)56-37-35(51)33(49)31(47)25(55-37)19-53-36-34(50)32(48)30(46)24(18-43)54-36/h10,20-21,23-37,43-52H,9,11-19H2,1-8H3/t20-,21-,23-,24-,25-,26+,27-,28-,29+,30-,31-,32+,33+,34-,35-,36-,37+,40+,41-,42+/m1/s1
C42H72O14801.0127131200
65047927

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H72O14/c1-20(9-13-27(44)39(4,5)52)21-15-16-40(6)26-12-10-22-23(42(26,8)28(45)17-41(21,40)7)11-14-29(38(22,2)3)56-37-35(51)33(49)31(47)25(55-37)19-53-36-34(50)32(48)30(46)24(18-43)54-36/h10,20-21,23-37,43-52H,9,11-19H2,1-8H3/t20-,21-,23-,24-,25-,26-,27-,28-,29+,30-,31-,32+,33+,34-,35-,36-,37+,40+,41-,42+/m1/s1
C42H72O14801.01274300
30773380

19 of 20 defined stereocentres - 19/20 defined
InChI=1/C42H72O14/c1-20(9-13-27(44)39(4,5)52)21-15-16-40(6)26-12-10-22-23(42(26,8)28(45)17-41(21,40)7)11-14-29(38(22,2)3)56-37-35(51)33(49)31(47)25(55-37)19-53-36-34(50)32(48)30(46)24(18-43)54-36/h10,20-21,23-37,43-52H,9,11-19H2,1-8H3/t20-,21?,23-,24-,25-,26-,27-,28-,29+,30-,31-,32+,33+,34-,35-,36-,37+,40+,41-,42+/m1/s1
C42H72O14801.01274400
128921660

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H72O14/c1-20(9-13-27(44)39(4,5)52)21-15-16-40(6)26-12-10-22-23(42(26,8)28(45)17-41(21,40)7)11-14-29(38(22,2)3)56-37-35(51)33(49)31(47)25(55-37)19-53-36-34(50)32(48)30(46)24(18-43)54-36/h10,20-21,23-37,43-52H,9,11-19H2,1-8H3/t20-,21-,23+,24-,25-,26+,27-,28+,29-,30-,31-,32+,33+,34-,35-,36-,37+,40+,41-,42-/m1/s1
C42H72O14801.01272200
82964639

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H72O14/c1-20(9-13-27(44)39(4,5)52)21-15-16-40(6)26-12-10-22-23(42(26,8)28(45)17-41(21,40)7)11-14-29(38(22,2)3)56-37-35(51)33(49)31(47)25(55-37)19-53-36-34(50)32(48)30(46)24(18-43)54-36/h10,20-21,23-37,43-52H,9,11-19H2,1-8H3/t20-,21-,23-,24-,25-,26-,27-,28-,29+,30-,31-,32+,33+,34-,35-,36-,37+,40+,41-,42+/m0/s1
C42H72O14801.01272100
107446282

19 of 20 defined stereocentres - 19/20 defined
InChI=1/C42H72O14/c1-20(9-13-27(44)39(4,5)52)21-15-16-40(6)26-12-10-22-23(42(26,8)28(45)17-41(21,40)7)11-14-29(38(22,2)3)56-37-35(51)33(49)31(47)25(55-37)19-53-36-34(50)32(48)30(46)24(18-43)54-36/h10,20-21,23-37,43-52H,9,11-19H2,1-8H3/t20-,21-,23-,24-,25-,26+,27-,28-,29+,30-,31-,32+,33+,34-,35-,36?,37+,40+,41-,42+/m1/s1
C42H72O14801.01271100
111311239

19 of 20 defined stereocentres - 19/20 defined
InChI=1/C42H72O14/c1-20(9-13-27(44)39(4,5)52)21-15-16-40(6)26-12-10-22-23(42(26,8)28(45)17-41(21,40)7)11-14-29(38(22,2)3)56-37-35(51)33(49)31(47)25(55-37)19-53-36-34(50)32(48)30(46)24(18-43)54-36/h10,20-21,23-37,43-52H,9,11-19H2,1-8H3/t20-,21-,23-,24-,25-,26+,27-,28-,29+,30-,31-,32+,33+,34-,35-,36?,37+,40+,41-,42+/m0/s1
C42H72O14801.01271100
113588418

19 of 20 defined stereocentres - 19/20 defined
InChI=1/C42H72O14/c1-20(9-13-27(44)39(4,5)52)21-15-16-40(6)26-12-10-22-23(42(26,8)28(45)17-41(21,40)7)11-14-29(38(22,2)3)56-37-35(51)33(49)31(47)25(55-37)19-53-36-34(50)32(48)30(46)24(18-43)54-36/h10,20-21,23-37,43-52H,9,11-19H2,1-8H3/t20-,21?,23-,24-,25-,26-,27-,28-,29+,30-,31-,32+,33+,34-,35-,36-,37+,40+,41-,42+/m0/s1
C42H72O14801.01271100
113609645

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H72O14/c1-20(9-13-27(44)39(4,5)52)21-15-16-40(6)26-12-10-22-23(42(26,8)28(45)17-41(21,40)7)11-14-29(38(22,2)3)56-37-35(51)33(49)31(47)25(55-37)19-53-36-34(50)32(48)30(46)24(18-43)54-36/h10,20-21,23-37,43-52H,9,11-19H2,1-8H3/t20-,21-,23-,24-,25-,26-,27-,28-,29+,30-,31-,32+,33+,34+,35+,36+,37-,40+,41+,42+/m1/s1
C42H72O14801.01271100
129159139

19 of 20 defined stereocentres - 19/20 defined
InChI=1/C42H72O14/c1-20(9-13-27(44)39(4,5)52)21-15-16-40(6)26-12-10-22-23(42(26,8)28(45)17-41(21,40)7)11-14-29(38(22,2)3)56-37-35(51)33(49)31(47)25(55-37)19-53-36-34(50)32(48)30(46)24(18-43)54-36/h10,20-21,23-37,43-52H,9,11-19H2,1-8H3/t20-,21-,23-,24-,25-,26?,27-,28-,29+,30-,31-,32+,33+,34-,35-,36-,37+,40+,41-,42+/m1/s1
C42H72O14801.01271100

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