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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 36 results

Search term: C40H68N2O31 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
35518829

28 of 29 defined stereocentres - 28/29 defined
InChI=1/C40H68N2O31/c1-10(50)41-19-26(59)32(18(9-49)68-36(19)72-34-24(57)16(7-47)66-39(29(34)62)69-31(13(53)4-44)21(54)12(52)3-43)70-40-30(63)35(25(58)17(8-48)67-40)73-37-20(42-11(2)51)33(23(56)15(6-46)64-37)71-38-28(61)27(60)22(55)14(5-45)65-38/h3,12-40,44-49,52-63H,4-9H2,1-2H3,(H,41,50)(H,42,51)/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22-,23+,24-,25-,26+,27-,28+,29+,30+,31?,32+,33+,34-,35-,36-,37-,38-,39-,40-/m0/s1
C40H68N2O311072.9627111100
168482

29 of 29 defined stereocentres - 29/29 defined
InChI=1/C40H68N2O31/c1-10(49)41-19-26(58)33(71-38-29(61)27(59)22(54)14(5-45)66-38)17(8-48)68-36(19)64-9-18-25(57)35(31(63)40(69-18)70-32(13(52)4-44)21(53)12(51)3-43)73-37-20(42-11(2)50)34(24(56)16(7-47)65-37)72-39-30(62)28(60)23(55)15(6-46)67-39/h3,12-40,44-48,51-63H,4-9H2,1-2H3,(H,41,49)(H,42,50)/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22-,23-,24+,25-,26+,27-,28-,29+,30+,31+,32+,33+,34+,35-,36+,37-,38-,39-,40-/m0/s1
C40H68N2O311072.96276500
17216186

27 of 29 defined stereocentres - 27/29 defined
InChI=1/C40H68N2O31/c1-10(49)41-19-26(58)33(71-38-29(61)27(59)22(54)14(5-45)66-38)17(8-48)68-36(19)64-9-18-25(57)35(31(63)40(69-18)70-32(13(52)4-44)21(53)12(51)3-43)73-37-20(42-11(2)50)34(24(56)16(7-47)65-37)72-39-30(62)28(60)23(55)15(6-46)67-39/h3,12-40,44-48,51-63H,4-9H2,1-2H3,(H,41,49)(H,42,50)/t12-,13+,14+,15+,16+,17+,18?,19+,20+,21+,22-,23-,24+,25-,26+,27-,28-,29+,30+,31+,32+,33?,34+,35-,36+,37-,38-,39-,40-/m0/s1
C40H68N2O311072.96276800
35016012

27 of 29 defined stereocentres - 27/29 defined
InChI=1/C40H68N2O31/c1-10(49)41-19-26(58)33(71-38-29(61)27(59)22(54)14(5-45)66-38)17(8-48)68-36(19)64-9-18-25(57)35(31(63)40(69-18)70-32(13(52)4-44)21(53)12(51)3-43)73-37-20(42-11(2)50)34(24(56)16(7-47)65-37)72-39-30(62)28(60)23(55)15(6-46)67-39/h3,12-40,44-48,51-63H,4-9H2,1-2H3,(H,41,49)(H,42,50)/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22-,23-,24+,25?,26+,27-,28-,29+,30+,31+,32+,33+,34+,35?,36+,37-,38-,39-,40-/m0/s1
C40H68N2O311072.96275500
62990976

29 of 29 defined stereocentres - 29/29 defined
InChI=1/C40H68N2O31/c1-10(50)41-19-26(59)32(18(9-49)68-36(19)72-34-24(57)16(7-47)66-39(29(34)62)69-31(13(53)4-44)21(54)12(52)3-43)70-40-30(63)35(25(58)17(8-48)67-40)73-37-20(42-11(2)51)33(23(56)15(6-46)64-37)71-38-28(61)27(60)22(55)14(5-45)65-38/h3,12-40,44-49,52-63H,4-9H2,1-2H3,(H,41,50)(H,42,51)/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22-,23+,24-,25-,26+,27-,28+,29+,30+,31+,32+,33+,34-,35-,36-,37-,38-,39-,40-/m0/s1
C40H68N2O311072.96274300
9415228

29 of 30 defined stereocentres - 29/30 defined
InChI=1/C40H68N2O31/c1-9(49)41-17-22(54)30(69-38-27(59)24(56)19(51)11(3-43)64-38)15(7-47)67-36(17)72-33-20(52)12(4-44)65-39(28(33)60)70-31-16(8-48)68-37(18(23(31)55)42-10(2)50)73-34-21(53)13(5-45)66-40(29(34)61)71-32-14(6-46)63-35(62)26(58)25(32)57/h11-40,43-48,51-62H,3-8H2,1-2H3,(H,41,49)(H,42,50)/t11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22-,23-,24+,25-,26-,27-,28-,29-,30-,31-,32-,33+,34+,35?,36+,37+,38+,39+,40+/m1/s1
C40H68N2O311072.96274400
26331826

29 of 30 defined stereocentres - 29/30 defined
InChI=1/C40H68N2O31/c1-9(48)41-17-23(54)31(70-38-28(59)24(55)19(50)11(3-43)66-38)15(7-47)68-36(17)63-8-16-22(53)34(30(61)40(69-16)71-32-14(6-46)64-35(62)27(58)26(32)57)73-37-18(42-10(2)49)33(21(52)13(5-45)65-37)72-39-29(60)25(56)20(51)12(4-44)67-39/h11-40,43-47,50-62H,3-8H2,1-2H3,(H,41,48)(H,42,49)/t11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21-,22+,23-,24+,25+,26-,27-,28-,29-,30-,31-,32-,33-,34+,35?,36-,37+,38+,39+,40+/m1/s1
C40H68N2O311072.96273500
26331827

29 of 30 defined stereocentres - 29/30 defined
InChI=1/C40H68N2O31/c1-9(48)41-17-22(53)31(70-38-28(59)24(55)19(50)11(3-43)65-38)14(6-46)67-36(17)63-8-16-21(52)34(30(61)40(69-16)72-33-13(5-45)64-35(62)27(58)26(33)57)73-37-18(42-10(2)49)23(54)32(15(7-47)68-37)71-39-29(60)25(56)20(51)12(4-44)66-39/h11-40,43-47,50-62H,3-8H2,1-2H3,(H,41,48)(H,42,49)/t11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22-,23-,24+,25+,26-,27-,28-,29-,30-,31-,32-,33-,34+,35?,36-,37+,38+,39+,40+/m1/s1
C40H68N2O311072.96273500
2660457

0 of 29 defined stereocentres - 0/29 defined
InChI=1/C40H68N2O31/c1-10(49)41-19-26(58)33(71-38-29(61)27(59)22(54)14(5-45)66-38)17(8-48)68-36(19)64-9-18-25(57)35(31(63)40(69-18)70-32(13(52)4-44)21(53)12(51)3-43)73-37-20(42-11(2)50)34(24(56)16(7-47)65-37)72-39-30(62)28(60)23(55)15(6-46)67-39/h3,12-40,44-48,51-63H,4-9H2,1-2H3,(H,41,49)(H,42,50)
C40H68N2O311072.96273400
8299874

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C40H68N2O31/c1-9(49)41-17-21(53)31(15(7-47)66-36(17)69-33-16(8-48)68-39(28(60)25(33)57)72-32-13(5-45)63-35(62)26(58)24(32)56)71-40-29(61)34(20(52)12(4-44)65-40)73-37-18(42-10(2)50)22(54)30(14(6-46)67-37)70-38-27(59)23(55)19(51)11(3-43)64-38/h11-40,43-48,51-62H,3-8H2,1-2H3,(H,41,49)(H,42,50)/t11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21-,22-,23+,24-,25-,26-,27-,28-,29-,30-,31-,32-,33+,34+,35-,36+,37+,38+,39+,40+/m1/s1
C40H68N2O311072.96272100
8460545

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C40H68N2O31/c1-9(49)41-17-31(70-38-27(59)24(56)19(51)11(3-43)66-38)20(52)12(4-44)64-36(17)73-34-23(55)15(7-47)68-40(29(34)61)71-32-18(42-10(2)50)37(65-13(5-45)21(32)53)72-33-22(54)14(6-46)67-39(28(33)60)69-30-16(8-48)63-35(62)26(58)25(30)57/h11-40,43-48,51-62H,3-8H2,1-2H3,(H,41,49)(H,42,50)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24+,25-,26-,27+,28+,29+,30-,31-,32-,33+,34+,35-,36+,37+,38+,39+,40+/m1/s1
C40H68N2O311072.96272100
26332415

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C40H68N2O31/c1-9(48)41-17-22(53)33(72-39-28(59)25(56)20(51)12(4-44)66-39)16(64-35(17)62)8-63-37-29(60)26(57)32(15(7-47)69-37)71-40-30(61)34(21(52)13(5-45)67-40)73-36-18(42-10(2)49)23(54)31(14(6-46)68-36)70-38-27(58)24(55)19(50)11(3-43)65-38/h11-40,43-47,50-62H,3-8H2,1-2H3,(H,41,48)(H,42,49)/t11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22-,23-,24+,25+,26-,27-,28-,29-,30-,31-,32-,33-,34+,35-,36+,37-,38+,39+,40+/m1/s1
C40H68N2O311072.96272300
26332800

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C40H68N2O31/c1-9(49)41-17-33(72-38-27(59)22(54)19(51)11(3-43)65-38)21(53)13(5-45)64-36(17)70-31-15(7-47)68-40(29(61)25(31)57)71-32-16(8-48)67-37(69-30-14(6-46)63-35(62)26(58)24(30)56)18(42-10(2)50)34(32)73-39-28(60)23(55)20(52)12(4-44)66-39/h11-40,43-48,51-62H,3-8H2,1-2H3,(H,41,49)(H,42,50)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24-,25-,26+,27-,28-,29-,30-,31-,32+,33-,34-,35+,36+,37+,38+,39+,40-/m1/s1
C40H68N2O311072.96272300
28533188

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C40H68N2O31/c1-9(49)41-17-22(54)19(51)11(3-43)64-36(17)72-33-20(52)12(4-44)66-40(28(33)60)71-32-16(8-48)68-38(27(59)25(32)57)69-30-15(7-47)67-37(18(23(30)55)42-10(2)50)73-34-21(53)13(5-45)65-39(29(34)61)70-31-14(6-46)63-35(62)26(58)24(31)56/h11-40,43-48,51-62H,3-8H2,1-2H3,(H,41,49)(H,42,50)/t11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,34+,35-,36+,37+,38+,39+,40-/m1/s1
C40H68N2O311072.96272300
29368465

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C40H68N2O31/c1-9(49)41-17-32(71-38-26(58)23(55)19(51)11(3-43)65-38)21(53)14(6-46)64-36(17)69-30-15(7-47)68-40(28(60)25(30)57)70-31-16(8-48)67-37(73-34-22(54)13(5-45)63-35(62)29(34)61)18(42-10(2)50)33(31)72-39-27(59)24(56)20(52)12(4-44)66-39/h11-40,43-48,51-62H,3-8H2,1-2H3,(H,41,49)(H,42,50)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,23+,24+,25-,26-,27-,28-,29+,30-,31+,32-,33-,34+,35+,36+,37+,38+,39+,40-/m1/s1
C40H68N2O311072.96272300
128434240

29 of 30 defined stereocentres - 29/30 defined
InChI=1/C40H68N2O31/c1-9(48)41-17-23(54)31(14(6-46)64-35(17)62)70-36-18(42-10(2)49)24(55)32(15(7-47)68-36)71-39-30(61)33(22(53)16(69-39)8-63-37-28(59)25(56)19(50)11(3-43)65-37)72-40-34(27(58)21(52)13(5-45)67-40)73-38-29(60)26(57)20(51)12(4-44)66-38/h11-40,43-47,50-62H,3-8H2,1-2H3,(H,41,48)(H,42,49)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+,26+,27+,28+,29+,30+,31-,32-,33+,34+,35?,36+,37+,38-,39+,40-/m1/s1
C40H68N2O311072.96272200
35518821

24 of 29 defined stereocentres - 24/29 defined
InChI=1/C40H68N2O31/c1-10(49)41-19-26(58)33(71-38-29(61)27(59)22(54)14(5-45)66-38)17(8-48)68-36(19)64-9-18-25(57)35(31(63)40(69-18)70-32(13(52)4-44)21(53)12(51)3-43)73-37-20(42-11(2)50)34(24(56)16(7-47)65-37)72-39-30(62)28(60)23(55)15(6-46)67-39/h3,12-40,44-48,51-63H,4-9H2,1-2H3,(H,41,49)(H,42,50)/t12-,13+,14+,15+,16+,17+,18+,19+,20?,21-,22-,23-,24+,25+,26+,27-,28-,29+,30+,31+,32?,33+,34+,35?,36?,37-,38-,39?,40-/m0/s1
C40H68N2O311072.96272300
44205604

21 of 29 defined stereocentres - 21/29 defined
InChI=1/C40H68N2O31/c1-10(50)41-19-25(59)32(18(9-49)67-36(19)72-34-23(57)16(7-47)65-39(28(34)62)68-30(13(53)4-44)21(55)12(52)3-43)70-40-29(63)35(24(58)17(8-48)66-40)73-37-20(42-11(2)51)33(22(56)15(6-46)64-37)71-38-27(61)26(60)31(69-38)14(54)5-45/h3,12-40,44-49,52-63H,4-9H2,1-2H3,(H,41,50)(H,42,51)/t12-,13+,14+,15+,16+,17+,18+,19+,20?,21-,22+,23+,24-,25+,26+,27+,28-,29+,30?,31?,32?,33?,34?,35?,36-,37+,38?,39-,40-/m0/s1
C40H68N2O311072.96271100
128920053

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C40H68N2O31/c1-9(48)41-17-23(54)31(14(6-46)64-35(17)62)70-36-18(42-10(2)49)24(55)32(15(7-47)68-36)71-39-30(61)33(22(53)16(69-39)8-63-37-28(59)25(56)19(50)11(3-43)65-37)72-40-34(27(58)21(52)13(5-45)67-40)73-38-29(60)26(57)20(51)12(4-44)66-38/h11-40,43-47,50-62H,3-8H2,1-2H3,(H,41,48)(H,42,49)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+,26+,27+,28+,29+,30+,31-,32-,33+,34+,35-,36+,37+,38-,39+,40-/m1/s1
C40H68N2O311072.96271100
128920123

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C40H68N2O31/c1-9(48)41-17-23(54)31(14(6-46)64-35(17)62)70-36-18(42-10(2)49)24(55)32(15(7-47)68-36)71-39-30(61)33(22(53)13(5-45)67-39)72-40-34(73-38-29(60)26(57)20(51)12(4-44)66-38)27(58)21(52)16(69-40)8-63-37-28(59)25(56)19(50)11(3-43)65-37/h11-40,43-47,50-62H,3-8H2,1-2H3,(H,41,48)(H,42,49)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+,26+,27+,28+,29+,30+,31-,32-,33+,34+,35-,36+,37+,38-,39+,40-/m1/s1
C40H68N2O311072.96271100
12

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