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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 26 results

Search term: C40H68N2O30 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
35013042

28 of 29 defined stereocentres - 28/29 defined
InChI=1/C40H68N2O30/c1-10-21(53)28(60)29(61)38(63-10)72-35-34(71-36-19(41-11(2)49)27(59)23(55)15(6-45)64-36)26(58)18(9-48)67-40(35)69-32-20(42-12(3)50)37(65-16(7-46)24(32)56)70-33-25(57)17(8-47)66-39(30(33)62)68-31(14(52)5-44)22(54)13(51)4-43/h4,10,13-40,44-48,51-62H,5-9H2,1-3H3,(H,41,49)(H,42,50)/t10-,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
C40H68N2O301056.96335500
57621536

29 of 29 defined stereocentres - 29/29 defined
InChI=1/C40H68N2O30/c1-10-20(50)26(56)29(59)37(65-10)63-8-14(49)33(21(51)13(4-43)41-11(2)47)70-36-19(42-12(3)48)25(55)34(17(7-46)68-36)71-40-32(62)35(72-39-31(61)28(58)23(53)16(6-45)67-39)24(54)18(69-40)9-64-38-30(60)27(57)22(52)15(5-44)66-38/h4,10,13-40,44-46,49-62H,5-9H2,1-3H3,(H,41,47)(H,42,48)/t10-,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
C40H68N2O301056.96334200
24606124

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C40H68N2O30/c1-9-19(48)25(54)28(57)37(64-9)63-8-16-33(23(52)17(35(61)65-16)41-10(2)46)70-36-18(42-11(3)47)24(53)32(14(6-45)68-36)71-40-31(60)34(72-39-30(59)27(56)21(50)13(5-44)67-39)22(51)15(69-40)7-62-38-29(58)26(55)20(49)12(4-43)66-38/h9,12-40,43-45,48-61H,4-8H2,1-3H3,(H,41,46)(H,42,47)/t9-,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-/m0/s1
C40H68N2O301056.96333800
8410763

25 of 28 defined stereocentres - 25/28 defined
InChI=1/C40H68N2O30/c1-11(50)41-21-25(54)32(69-38-29(58)27(56)23(52)14(4-44)64-38)16(6-46)66-36(21)71-34-18(8-48)68-40(63-13(3-43)19-10-61-20(9-49)62-19)31(60)35(34)72-37-22(42-12(2)51)26(55)33(17(7-47)67-37)70-39-30(59)28(57)24(53)15(5-45)65-39/h13-40,43-49,52-60H,3-10H2,1-2H3,(H,41,50)(H,42,51)/t13?,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
C40H68N2O301056.96332100
23107155

29 of 30 defined stereocentres - 29/30 defined
InChI=1/C40H68N2O30/c1-9-19(49)24(54)28(58)38(63-9)71-33-18(42-11(3)48)35(61)64-15(7-46)32(33)70-36-17(41-10(2)47)23(53)31(14(6-45)67-36)69-40-30(60)34(72-39-29(59)26(56)21(51)13(5-44)66-39)22(52)16(68-40)8-62-37-27(57)25(55)20(50)12(4-43)65-37/h9,12-40,43-46,49-61H,4-8H2,1-3H3,(H,41,47)(H,42,48)/t9-,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-/m0/s1
C40H68N2O301056.96332300
128434287

29 of 30 defined stereocentres - 29/30 defined
InChI=1/C40H68N2O30/c1-9-19(49)24(54)28(58)38(63-9)71-33-18(42-11(3)48)36(65-13(5-44)21(33)51)62-8-16-22(52)34(30(60)40(68-16)70-32-14(6-45)64-35(61)27(57)26(32)56)72-37-17(41-10(2)47)23(53)31(15(7-46)67-37)69-39-29(59)25(55)20(50)12(4-43)66-39/h9,12-40,43-46,49-61H,4-8H2,1-3H3,(H,41,47)(H,42,48)/t9-,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-/m0/s1
C40H68N2O301056.96332200
58163481

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C40H68N2O30/c1-9-30(34(72-38-27(58)24(55)20(51)13(5-44)65-38)29(60)39(62-9)70-32-15(7-46)63-35(61)26(57)25(32)56)68-40-28(59)33(21(52)14(6-45)66-40)71-37-18(42-11(3)49)23(54)31(16(8-47)67-37)69-36-17(41-10(2)48)22(53)19(50)12(4-43)64-36/h9,12-40,43-47,50-61H,4-8H2,1-3H3,(H,41,48)(H,42,49)/t9-,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-/m0/s1
C40H68N2O301056.96332200
68024971

27 of 29 defined stereocentres - 27/29 defined
InChI=1/C40H68N2O30/c1-10-20(50)26(56)29(59)37(65-10)63-8-14(49)33(21(51)13(4-43)41-11(2)47)70-36-19(42-12(3)48)25(55)34(17(7-46)68-36)71-40-32(62)35(72-39-31(61)28(58)23(53)16(6-45)67-39)24(54)18(69-40)9-64-38-30(60)27(57)22(52)15(5-44)66-38/h4,10,13-40,44-46,49-62H,5-9H2,1-3H3,(H,41,47)(H,42,48)/t10-,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
C40H68N2O301056.96331100
71044236

28 of 30 defined stereocentres - 28/30 defined
InChI=1/C40H68N2O30/c1-9-19(48)25(54)28(57)37(64-9)63-8-16-33(23(52)17(35(61)65-16)41-10(2)46)70-36-18(42-11(3)47)24(53)32(14(6-45)68-36)71-40-31(60)34(72-39-30(59)27(56)21(50)13(5-44)67-39)22(51)15(69-40)7-62-38-29(58)26(55)20(49)12(4-43)66-38/h9,12-40,43-45,48-61H,4-8H2,1-3H3,(H,41,46)(H,42,47)/t9-,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-/m0/s1
C40H68N2O301056.96331300
4451002

29 of 29 defined stereocentres - 29/29 defined
InChI=1/C40H68N2O30/c1-10(48)41-12-8-62-15(5-45)32(20(12)50)69-36-19(42-11(2)49)23(53)33(16(6-46)66-36)70-40-31(61)27(57)35(18(68-40)9-63-37-28(58)24(54)21(51)13(3-43)64-37)72-39-30(60)26(56)34(17(7-47)67-39)71-38-29(59)25(55)22(52)14(4-44)65-38/h12-40,43-47,50-61H,3-9H2,1-2H3,(H,41,48)(H,42,49)/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
C40H68N2O301056.963321100
4451003

28 of 29 defined stereocentres - 28/29 defined
InChI=1/C40H68N2O30/c1-10(49)41-12-9-62-15(5-45)31(20(12)51)68-36-19(42-11(2)50)23(54)32(16(6-46)65-36)69-39-29(60)26(57)33(17(7-47)66-39)70-40-30(61)35(72-38-28(59)25(56)22(53)14(4-44)64-38)34(18(8-48)67-40)71-37-27(58)24(55)21(52)13(3-43)63-37/h12-40,43-48,51-61H,3-9H2,1-2H3,(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
C40H68N2O301056.963321100
4451004

29 of 29 defined stereocentres - 29/29 defined
InChI=1/C40H68N2O30/c1-10(48)41-12-8-62-16(6-46)32(20(12)50)69-36-19(42-11(2)49)25(55)33(17(7-47)67-36)70-39-31(61)34(71-37-29(59)26(56)21(51)13(3-43)64-37)24(54)18(68-39)9-63-40-35(28(58)23(53)15(5-45)66-40)72-38-30(60)27(57)22(52)14(4-44)65-38/h12-40,43-47,50-61H,3-9H2,1-2H3,(H,41,48)(H,42,49)/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
C40H68N2O301056.963321100
4451005

29 of 29 defined stereocentres - 29/29 defined
InChI=1/C40H68N2O30/c1-10(48)41-12-8-62-15(5-45)32(20(12)50)69-36-19(42-11(2)49)24(54)33(16(6-46)66-36)70-38-30(60)26(56)23(53)18(68-38)9-63-40-35(27(57)22(52)14(4-44)65-40)72-39-31(61)28(58)34(17(7-47)67-39)71-37-29(59)25(55)21(51)13(3-43)64-37/h12-40,43-47,50-61H,3-9H2,1-2H3,(H,41,48)(H,42,49)/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
C40H68N2O301056.963321100
4451014

29 of 29 defined stereocentres - 29/29 defined
InChI=1/C40H68N2O30/c1-10(47)41-12-7-62-15(5-45)33(20(12)49)70-36-19(42-11(2)48)25(54)34(16(6-46)67-36)71-40-31(60)28(57)23(52)17(69-40)8-64-38-32(61)35(72-39-30(59)27(56)22(51)14(4-44)66-39)24(53)18(68-38)9-63-37-29(58)26(55)21(50)13(3-43)65-37/h12-40,43-46,49-61H,3-9H2,1-2H3,(H,41,47)(H,42,48)/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
C40H68N2O301056.963321100
4573170

29 of 29 defined stereocentres - 29/29 defined
InChI=1/C40H68N2O30/c1-10(49)41-12-9-62-14(4-44)31(20(12)51)68-36-19(42-11(2)50)22(53)32(15(5-45)64-36)69-38-28(59)24(55)34(17(7-47)65-38)71-40-30(61)26(57)35(18(8-48)67-40)72-39-29(60)25(56)33(16(6-46)66-39)70-37-27(58)23(54)21(52)13(3-43)63-37/h12-40,43-48,51-61H,3-9H2,1-2H3,(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
C40H68N2O301056.96331100
128920047

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C40H68N2O30/c1-9-19(49)24(54)28(58)38(63-9)71-33-18(42-11(3)48)35(61)64-15(7-46)32(33)70-36-17(41-10(2)47)23(53)31(14(6-45)67-36)69-40-30(60)34(72-39-29(59)26(56)21(51)13(5-44)66-39)22(52)16(68-40)8-62-37-27(57)25(55)20(50)12(4-43)65-37/h9,12-40,43-46,49-61H,4-8H2,1-3H3,(H,41,47)(H,42,48)/t9-,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-/m0/s1
C40H68N2O301056.96331100
128920050

29 of 30 defined stereocentres - 29/30 defined
InChI=1/C40H68N2O30/c1-9-19(48)25(54)28(57)37(64-9)63-8-16-33(23(52)17(35(61)65-16)41-10(2)46)70-36-18(42-11(3)47)24(53)32(14(6-45)68-36)71-40-31(60)34(72-39-30(59)27(56)21(50)13(5-44)67-39)22(51)15(69-40)7-62-38-29(58)26(55)20(49)12(4-43)66-38/h9,12-40,43-45,48-61H,4-8H2,1-3H3,(H,41,46)(H,42,47)/t9-,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-/m0/s1
C40H68N2O301056.96331100
23353535

29 of 29 defined stereocentres - 29/29 defined
InChI=1/C40H68N2O30/c1-10-21(53)28(60)29(61)38(63-10)72-35-34(71-36-19(41-11(2)49)27(59)23(55)15(6-45)64-36)26(58)18(9-48)67-40(35)69-32-20(42-12(3)50)37(65-16(7-46)24(32)56)70-33-25(57)17(8-47)66-39(30(33)62)68-31(14(52)5-44)22(54)13(51)4-43/h4,10,13-40,44-48,51-62H,5-9H2,1-3H3,(H,41,49)(H,42,50)/t10-,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
C40H68N2O301056.96331100
12

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