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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 14 results

Search term: C58H98N2O46 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28533622

45 of 45 defined stereocentres - 45/45 defined
InChI=1/C58H98N2O46/c1-12(68)59-23-32(77)44(19(8-66)92-50(23)89)101-51-24(60-13(2)69)33(78)45(20(9-67)98-51)102-56-43(88)47(104-58-49(38(83)29(74)18(7-65)97-58)106-55-41(86)36(81)27(72)16(5-63)95-55)31(76)22(100-56)11-91-53-42(87)46(30(75)21(99-53)10-90-52-39(84)34(79)25(70)14(3-61)93-52)103-57-48(37(82)28(73)17(6-64)96-57)105-54-40(85)35(80)26(71)15(4-62)94-54/h14-58,61-67,70-89H,3-11H2,1-2H3,(H,59,68)(H,60,69)/t14-,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+,41+,42+,43+,44-,45-,46+,47+,48+,49+,50-,51+,52+,53+,54-,55-,56+,57-,58-/m1/s1
C58H98N2O461559.38452300
34448561

44 of 45 defined stereocentres - 44/45 defined
InChI=1/C58H98N2O46/c1-12(68)59-23-32(77)44(19(8-66)92-50(23)89)101-51-24(60-13(2)69)33(78)45(20(9-67)98-51)102-56-43(88)47(104-57-49(38(83)29(74)17(6-64)96-57)106-58-48(37(82)28(73)18(7-65)97-58)105-55-41(86)36(81)27(72)16(5-63)95-55)31(76)22(100-56)11-91-53-42(87)46(103-54-40(85)35(80)26(71)15(4-62)94-54)30(75)21(99-53)10-90-52-39(84)34(79)25(70)14(3-61)93-52/h14-58,61-67,70-89H,3-11H2,1-2H3,(H,59,68)(H,60,69)/t14-,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+,41+,42+,43+,44-,45-,46+,47+,48+,49+,50?,51+,52+,53+,54-,55-,56+,57-,58-/m1/s1
C58H98N2O461559.38452300
34448570

44 of 45 defined stereocentres - 44/45 defined
InChI=1/C58H98N2O46/c1-12(68)59-23-32(77)44(19(8-66)92-50(23)89)101-51-24(60-13(2)69)33(78)45(20(9-67)98-51)102-56-43(88)47(104-58-49(38(83)29(74)18(7-65)97-58)106-55-41(86)36(81)27(72)16(5-63)95-55)31(76)22(100-56)10-90-52-42(87)46(103-53-39(84)34(79)25(70)14(3-61)93-53)30(75)21(99-52)11-91-57-48(37(82)28(73)17(6-64)96-57)105-54-40(85)35(80)26(71)15(4-62)94-54/h14-58,61-67,70-89H,3-11H2,1-2H3,(H,59,68)(H,60,69)/t14-,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+,41+,42+,43+,44-,45-,46+,47+,48+,49+,50?,51+,52+,53-,54-,55-,56+,57+,58-/m1/s1
C58H98N2O461559.38452300
34448571

44 of 45 defined stereocentres - 44/45 defined
InChI=1/C58H98N2O46/c1-12(67)59-23-32(76)45(18(7-65)93-50(23)89)102-51-24(60-13(2)68)33(77)46(19(8-66)98-51)103-57-44(88)48(105-58-49(106-56-42(86)37(81)28(72)17(6-64)97-56)38(82)29(73)20(101-58)9-90-52-39(83)34(78)25(69)14(3-61)94-52)31(75)22(100-57)11-92-54-43(87)47(104-55-41(85)36(80)27(71)16(5-63)96-55)30(74)21(99-54)10-91-53-40(84)35(79)26(70)15(4-62)95-53/h14-58,61-66,69-89H,3-11H2,1-2H3,(H,59,67)(H,60,68)/t14-,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+,41+,42+,43+,44+,45-,46-,47+,48+,49+,50?,51+,52+,53+,54+,55-,56-,57+,58-/m1/s1
C58H98N2O461559.38452300
2279529

45 of 45 defined stereocentres - 45/45 defined
InChI=1/C58H98N2O46/c1-12(68)59-23-32(77)44(19(8-66)92-50(23)89)101-51-24(60-13(2)69)33(78)45(20(9-67)98-51)102-56-43(88)47(103-53-39(84)34(79)25(70)14(3-61)93-53)31(76)22(100-56)10-90-52-42(87)46(104-58-49(38(83)29(74)18(7-65)97-58)106-55-41(86)36(81)27(72)16(5-63)95-55)30(75)21(99-52)11-91-57-48(37(82)28(73)17(6-64)96-57)105-54-40(85)35(80)26(71)15(4-62)94-54/h14-58,61-67,70-89H,3-11H2,1-2H3,(H,59,68)(H,60,69)/t14-,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+,41+,42+,43+,44-,45-,46+,47+,48+,49+,50-,51+,52+,53-,54-,55-,56+,57+,58-/m1/s1
C58H98N2O461559.384522200
3439583

0 of 44 defined stereocentres - 0/44 defined
InChI=1/C58H98N2O46/c1-13(69)59-15(3-61)26(72)45(16(71)4-62)101-51-25(60-14(2)70)34(80)46(22(10-68)98-51)102-56-44(90)48(104-58-50(39(85)31(77)21(9-67)97-58)106-55-42(88)37(83)29(75)19(7-65)95-55)33(79)24(100-56)11-91-52-43(89)47(103-53-40(86)35(81)27(73)17(5-63)93-53)32(78)23(99-52)12-92-57-49(38(84)30(76)20(8-66)96-57)105-54-41(87)36(82)28(74)18(6-64)94-54/h3,15-58,62-68,71-90H,4-12H2,1-2H3,(H,59,69)(H,60,70)
C58H98N2O461559.384522100
88294135

45 of 45 defined stereocentres - 45/45 defined
InChI=1/C58H98N2O46/c1-12(69)59-23-32(78)43(20(9-67)91-50(23)89)100-51-24(60-13(2)70)33(79)44(21(10-68)98-51)101-55-42(88)46(103-57-49(38(84)29(75)17(6-64)96-57)106-58-48(37(83)28(74)18(7-65)97-58)105-54-40(86)35(81)26(72)15(4-62)94-54)31(77)22(99-55)11-90-52-41(87)45(30(76)19(8-66)92-52)102-56-47(36(82)27(73)16(5-63)95-56)104-53-39(85)34(80)25(71)14(3-61)93-53/h14-58,61-68,71-89H,3-11H2,1-2H3,(H,59,69)(H,60,70)/t14-,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+,41+,42+,43-,44-,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55+,56-,57-,58-/m1/s1
C58H98N2O461559.38452200
88294161

44 of 45 defined stereocentres - 44/45 defined
InChI=1/C58H98N2O46/c1-12(69)59-23-32(78)43(20(9-67)91-50(23)89)100-51-24(60-13(2)70)33(79)44(21(10-68)98-51)101-55-42(88)46(103-57-49(38(84)29(75)17(6-64)96-57)106-58-48(37(83)28(74)18(7-65)97-58)105-54-40(86)35(81)26(72)15(4-62)94-54)31(77)22(99-55)11-90-52-41(87)45(30(76)19(8-66)92-52)102-56-47(36(82)27(73)16(5-63)95-56)104-53-39(85)34(80)25(71)14(3-61)93-53/h14-58,61-68,71-89H,3-11H2,1-2H3,(H,59,69)(H,60,70)/t14-,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+,41+,42+,43-,44-,45+,46+,47+,48+,49+,50?,51+,52+,53-,54-,55+,56-,57-,58-/m1/s1
C58H98N2O461559.38452200
128434187

45 of 45 defined stereocentres - 45/45 defined
InChI=1/C58H98N2O46/c1-12(67)59-23-32(76)45(18(7-65)93-50(23)89)102-51-24(60-13(2)68)33(77)46(19(8-66)98-51)103-57-44(88)48(105-58-49(106-56-42(86)37(81)28(72)17(6-64)97-56)38(82)29(73)20(101-58)9-90-52-39(83)34(78)25(69)14(3-61)94-52)31(75)22(100-57)11-92-54-43(87)47(104-55-41(85)36(80)27(71)16(5-63)96-55)30(74)21(99-54)10-91-53-40(84)35(79)26(70)15(4-62)95-53/h14-58,61-66,69-89H,3-11H2,1-2H3,(H,59,67)(H,60,68)/t14-,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+,41+,42+,43+,44+,45-,46-,47+,48+,49+,50-,51+,52+,53+,54+,55-,56-,57+,58-/m1/s1
C58H98N2O461559.38452200
24606141

45 of 45 defined stereocentres - 45/45 defined
InChI=1/C58H98N2O46/c1-12(68)59-23-32(77)44(19(8-66)92-50(23)89)101-51-24(60-13(2)69)33(78)45(20(9-67)98-51)102-56-43(88)47(104-58-49(38(83)29(74)18(7-65)97-58)106-55-41(86)36(81)27(72)16(5-63)95-55)31(76)22(100-56)10-90-52-42(87)46(103-53-39(84)34(79)25(70)14(3-61)93-53)30(75)21(99-52)11-91-57-48(37(82)28(73)17(6-64)96-57)105-54-40(85)35(80)26(71)15(4-62)94-54/h14-58,61-67,70-89H,3-11H2,1-2H3,(H,59,68)(H,60,69)/t14-,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+,41+,42+,43+,44-,45-,46+,47+,48+,49+,50-,51+,52+,53-,54-,55-,56+,57+,58-/m1/s1
C58H98N2O461559.38451600
71044240

43 of 45 defined stereocentres - 43/45 defined
InChI=1/C58H98N2O46/c1-12(68)59-23-32(77)44(19(8-66)92-50(23)89)101-51-24(60-13(2)69)33(78)45(20(9-67)98-51)102-56-43(88)47(104-58-49(38(83)29(74)18(7-65)97-58)106-55-41(86)36(81)27(72)16(5-63)95-55)31(76)22(100-56)10-90-52-42(87)46(103-53-39(84)34(79)25(70)14(3-61)93-53)30(75)21(99-52)11-91-57-48(37(82)28(73)17(6-64)96-57)105-54-40(85)35(80)26(71)15(4-62)94-54/h14-58,61-67,70-89H,3-11H2,1-2H3,(H,59,68)(H,60,69)/t14-,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-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51+,52-,53-,54+,55+,56-,57-,58+/m0/s1
C58H98N2O461559.38451300

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