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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 119 results

Search term: C41H66O13 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28424531

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C41H66O13/c1-20-10-15-41(35(49)54-34-31(48)29(46)28(45)23(18-42)52-34)17-16-38(5)21(32(41)40(20,7)50)8-9-25-37(4)13-12-26(36(2,3)24(37)11-14-39(25,38)6)53-33-30(47)27(44)22(43)19-51-33/h8,20,22-34,42-48,50H,9-19H2,1-7H3/t20-,22+,23-,24+,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,37+,38-,39-,40-,41+/m1/s1
C41H66O13766.9549363400
389529

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C41H66O13/c1-21(2)36(51-34(47)20-31(45)35-27(8)39(48)52-40(35)49)38(50-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(54-37)17-15-23(4)33(53-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3/t22-,23+,24+,25-,26-,29-,31+,32+,33-,36+,37-,38+,41+/m0/s1
C41H66O13766.9549262300
2299170

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C41H66O13/c1-21(2)36(51-34(47)20-31(45)35-27(8)39(48)52-40(35)49)38(50-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(54-37)17-15-23(4)33(53-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3/t22-,23+,24+,25-,26-,29-,31+,32+,33-,36+,37-,38-,41+/m0/s1
C41H66O13766.954939999998242200
10252306

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C41H66O13/c1-36(2)13-15-41(35(49)50)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(38(4,20-43)25(37)9-12-40(26,39)6)53-34-32(28(45)23(44)19-51-34)54-33-31(48)30(47)29(46)24(18-42)52-33/h7,22-34,42-48H,8-20H2,1-6H3,(H,49,50)/t22-,23-,24+,25+,26+,27-,28-,29+,30-,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1
C41H66O13766.9549222900
9731583

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C41H66O13/c1-36(2)13-15-41(35(49)50)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(38(4,20-43)25(37)9-12-40(26,39)6)54-33-31(47)29(45)24(19-51-33)53-34-32(48)30(46)28(44)23(18-42)52-34/h7,22-34,42-48H,8-20H2,1-6H3,(H,49,50)/t22-,23+,24-,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1
C41H66O13766.954939999998171300
9247887

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C41H66O13/c1-20(2)14-21-16-50-41-18-40(19-51-41)22(33(41)39(21,7)48)8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,40)6)53-34-31(47)32(23(43)17-49-34)54-35-30(46)29(45)28(44)24(15-42)52-35/h14,21-35,42-48H,8-13,15-19H2,1-7H3/t21-,22-,23+,24-,25+,26-,27+,28-,29+,30-,31-,32+,33+,34+,35+,37+,38-,39+,40+,41-/m1/s1
C41H66O13766.9549141300
10252034

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C41H66O13/c1-20-10-15-41(35(48)49)17-16-38(5)21(32(41)40(20,7)50)8-9-25-37(4)13-12-26(36(2,3)24(37)11-14-39(25,38)6)53-34-31(27(44)22(43)19-51-34)54-33-30(47)29(46)28(45)23(18-42)52-33/h8,20,22-34,42-47,50H,9-19H2,1-7H3,(H,48,49)/t20-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31+,32+,33-,34-,37-,38+,39+,40+,41-/m0/s1
C41H66O13766.9549131200
9269063

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C41H66O13/c1-20-28(45)30(47)31(48)33(52-20)54-32-29(46)23(43)18-51-34(32)53-27-11-12-37(4)24(38(27,5)19-42)10-13-39(6)25(37)9-8-21-22-16-36(2,3)14-15-41(22,35(49)50)26(44)17-40(21,39)7/h8,20,22-34,42-48H,9-19H2,1-7H3,(H,49,50)/t20-,22-,23-,24+,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41+/m0/s1
C41H66O13766.954911900
9040879

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C41H66O13/c1-20(2)14-21-15-39(7,48)33-22-8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,6)40(22)18-41(33,54-21)50-19-40)52-34-31(47)32(23(43)17-49-34)53-35-30(46)29(45)28(44)24(16-42)51-35/h14,21-35,42-48H,8-13,15-19H2,1-7H3/t21-,22+,23-,24+,25-,26+,27-,28+,29-,30+,31+,32-,33-,34-,35-,37-,38+,39-,40-,41-/m0/s1
C41H66O13766.954911800
65047920

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C41H66O13/c1-20-10-15-41(35(48)49)17-16-38(5)21(32(41)40(20,7)50)8-9-25-37(4)13-12-26(36(2,3)24(37)11-14-39(25,38)6)53-34-31(27(44)22(43)19-51-34)54-33-30(47)29(46)28(45)23(18-42)52-33/h8,20,22-34,42-47,50H,9-19H2,1-7H3,(H,48,49)/t20-,22+,23-,24+,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,37+,38-,39-,40-,41+/m1/s1
C41H66O13766.954910900
18483

20 of 21 defined stereocentres - 20/21 defined
InChI=1/C41H66O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h20-31,33-38,42-44,46-47H,6-19H2,1-5H3/t20-,21-,22-,23?,24-,25+,26+,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
C41H66O13766.95497700
71044150

16 of 18 defined stereocentres - 16/18 defined
InChI=1/C41H66O13/c1-36(2)13-15-41(35(50)54-34-32(49)30(47)29(46)24(18-42)52-34)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(53-33-31(48)28(45)23(44)19-51-33)38(4,20-43)25(37)9-12-40(26,39)6/h7,22-34,42-49H,8-20H2,1-6H3/t22-,23-,24+,25?,26?,27-,28-,29+,30-,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1
C41H66O13766.95496500
81422658

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C41H66O13/c1-20(2)14-21-15-39(7,48)33-22-8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,6)40(22)18-41(33,54-21)50-19-40)52-34-31(47)32(23(43)17-49-34)53-35-30(46)29(45)28(44)24(16-42)51-35/h14,21-35,42-48H,8-13,15-19H2,1-7H3/t21-,22+,23-,24+,25-,26+,27-,28+,29-,30+,31+,32-,33-,34-,35-,37-,38+,39+,40-,41-/m0/s1
C41H66O13766.95495400
17267157

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C41H66O13/c1-20(2)25(43)10-8-21(3)22-13-17-41(37(49)50)24-9-11-28-38(4,5)29(14-15-39(28,6)23(24)12-16-40(22,41)7)53-36-34(30(45)26(44)19-51-36)54-35-33(48)32(47)31(46)27(18-42)52-35/h21-22,25-36,42-48H,1,8-19H2,2-7H3,(H,49,50)/t21-,22-,25+,26+,27-,28+,29+,30+,31+,32+,33-,34-,35+,36+,39-,40-,41+/m1/s1
C41H66O13766.95495500
2668895

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C41H66O13/c1-21(2)36(51-34(47)20-31(45)35-27(8)39(48)52-40(35)49)38(50-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(54-37)17-15-23(4)33(53-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3
C41H66O13766.9549399999985200
9149926

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C41H66O13/c1-19(2)8-11-28(44)20(3)31-29(53-39-36(49)37(51-22(5)43)32(45)21(4)50-39)17-27-25-10-9-23-16-24(12-14-40(23,6)26(25)13-15-41(27,31)7)52-38-35(48)34(47)33(46)30(18-42)54-38/h8-9,20-21,24-39,42,44-49H,10-18H2,1-7H3/t20-,21+,24+,25-,26+,27+,28+,29+,30-,31+,32+,33-,34+,35-,36-,37-,38-,39+,40+,41+/m1/s1
C41H66O13766.95495400
71041984

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C41H66O13/c1-20-10-15-41(35(48)49)17-16-38(5)21(32(41)40(20,7)50)8-9-25-37(4)13-12-26(36(2,3)24(37)11-14-39(25,38)6)53-34-31(27(44)22(43)19-51-34)54-33-30(47)29(46)28(45)23(18-42)52-33/h8,20,22-34,42-47,50H,9-19H2,1-7H3,(H,48,49)/t20-,22-,23-,24+,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,37+,38-,39-,40-,41+/m1/s1
C41H66O13766.95495400
35014487

16 of 18 defined stereocentres - 16/18 defined
InChI=1/C41H66O13/c1-36(2)14-16-41(35(50)54-34-31(48)29(46)28(45)22(18-42)52-34)17-15-39(6)20(26(41)32(36)49)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)53-33-30(47)27(44)21(43)19-51-33/h8,21-34,42-49H,9-19H2,1-7H3/t21-,22+,23?,24?,25-,26+,27-,28+,29-,30+,31+,32-,33-,34-,38-,39+,40+,41-/m0/s1
C41H66O13766.95494400
17267153

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C41H66O13/c1-20(2)25(43)10-8-21(3)22-13-17-41(37(49)50)24-9-11-28-38(4,5)29(14-15-39(28,6)23(24)12-16-40(22,41)7)53-36-34(30(45)26(44)19-51-36)54-35-33(48)32(47)31(46)27(18-42)52-35/h21-22,25-36,42-48H,1,8-19H2,2-7H3,(H,49,50)/t21-,22-,25-,26+,27-,28+,29+,30+,31+,32+,33-,34-,35+,36+,39-,40-,41+/m1/s1
C41H66O13766.95494400
140579

16 of 18 defined stereocentres - 16/18 defined
InChI=1/C41H66O13/c1-36(2)13-15-41(35(49)50)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(38(4,20-43)25(37)9-12-40(26,39)6)53-34-32(28(45)23(44)19-51-34)54-33-31(48)30(47)29(46)24(18-42)52-33/h7,22-34,42-48H,8-20H2,1-6H3,(H,49,50)/t22-,23+,24-,25?,26-,27+,28+,29-,30+,31-,32-,33-,34+,37+,38?,39-,40-,41+/m1/s1
C41H66O13766.95494300
12345

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