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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 44 results

Search term: C42H72O36 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
22900883

34 of 35 defined stereocentres - 34/35 defined
InChI=1/C42H72O36/c43-1-8-15(50)16(51)24(59)37(67-8)74-31-10(3-45)69-39(26(61)18(31)53)76-33-12(5-47)71-41(28(63)20(33)55)78-35-14(7-49)72-42(29(64)22(35)57)77-34-13(6-48)70-40(27(62)21(34)56)75-32-11(4-46)68-38(25(60)19(32)54)73-30-9(2-44)66-36(65)23(58)17(30)52/h8-65H,1-7H2/t8-,9-,10-,11-,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-,41-,42-/m1/s1
C42H72O361152.9995323800
148338

34 of 34 defined stereocentres - 34/34 defined
InChI=1/C42H72O36/c43-1-9(51)17(53)31(10(52)2-44)73-38-26(62)20(56)33(12(4-46)68-38)75-40-28(64)22(58)35(14(6-48)70-40)77-42-30(66)24(60)36(16(8-50)72-42)78-41-29(65)23(59)34(15(7-49)71-41)76-39-27(63)21(57)32(13(5-47)69-39)74-37-25(61)19(55)18(54)11(3-45)67-37/h1,9-42,44-66H,2-8H2/t9-,10+,11+,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+,41+,42+/m0/s1
C42H72O361152.9995232300
21106030

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C42H70O35.H2O/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51;/h8-63H,1-7H2;1H2/t8-,9-,10-,11-,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-,41-,42-;/m1./s1
C42H72O361152.9995222700
34598

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C42H72O36/c43-1-8-15(48)22(55)25(58)37(69-8)66-6-13-20(53)32(28(61)36(65)68-13)75-40-29(62)33(18(51)11(4-46)72-40)77-41-30(63)34(19(52)12(5-47)73-41)78-42-31(64)35(76-39-27(60)24(57)17(50)10(3-45)71-39)21(54)14(74-42)7-67-38-26(59)23(56)16(49)9(2-44)70-38/h8-65H,1-7H2/t8-,9-,10-,11-,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+,41+,42+/m1/s1
C42H72O361152.9995181600
71061454

29 of 29 defined stereocentres - 29/29 defined
InChI=1/C42H72O36/c43-1-14-21(51)28(58)29(59)36(71-14)78-42(35(65)27(57)20(7-49)77-42)13-70-41(34(64)26(56)19(6-48)76-41)12-69-40(33(63)25(55)18(5-47)75-40)11-68-39(32(62)24(54)17(4-46)74-39)10-67-38(31(61)23(53)16(3-45)73-38)9-66-37(8-50)30(60)22(52)15(2-44)72-37/h14-36,43-65H,1-13H2/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+/m1/s1
C42H72O361152.9995141400
8095557

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C42H72O36/c43-1-8-15(50)16(51)24(59)37(67-8)74-31-10(3-45)69-39(26(61)18(31)53)76-33-12(5-47)71-41(28(63)20(33)55)78-35-14(7-49)72-42(29(64)22(35)57)77-34-13(6-48)70-40(27(62)21(34)56)75-32-11(4-46)68-38(25(60)19(32)54)73-30-9(2-44)66-36(65)23(58)17(30)52/h8-65H,1-7H2/t8-,9-,10-,11-,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-,41-,42-/m1/s1
C42H72O361152.9995131400
2300950

34 of 35 defined stereocentres - 34/35 defined
InChI=1/C42H72O36/c43-1-8-15(49)21(55)27(61)36(67-8)66-7-14-32(74-37-28(62)22(56)16(50)9(2-44)68-37)34(76-39-30(64)24(58)18(52)11(4-46)70-39)35(77-40-31(65)25(59)19(53)12(5-47)71-40)42(73-14)78-41-33(26(60)20(54)13(6-48)72-41)75-38-29(63)23(57)17(51)10(3-45)69-38/h8-65H,1-7H2/t8-,9-,10-,11-,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-,41-,42?/m1/s1
C42H72O361152.999489700
44205607

34 of 35 defined stereocentres - 34/35 defined
InChI=1/C42H72O36/c43-1-8-15(50)22(57)23(58)37(67-8)74-31-17(52)10(3-45)69-39(25(31)60)76-33-19(54)12(5-47)71-41(27(33)62)78-35-21(56)14(7-49)72-42(29(35)64)77-34-20(55)13(6-48)70-40(28(34)63)75-32-18(53)11(4-46)68-38(26(32)61)73-30-16(51)9(2-44)66-36(65)24(30)59/h8-65H,1-7H2/t8-,9-,10-,11-,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+,41+,42+/m1/s1
C42H72O361152.99958700
16736739

34 of 34 defined stereocentres - 34/34 defined
InChI=1/C42H72O36/c43-1-9(51)17(53)31(10(52)2-44)73-38-26(62)33(20(56)12(4-46)68-38)75-40-28(64)35(22(58)14(6-48)70-40)77-42-30(66)36(23(59)16(8-50)72-42)78-41-29(65)34(21(57)15(7-49)71-41)76-39-27(63)32(19(55)13(5-47)69-39)74-37-25(61)24(60)18(54)11(3-45)67-37/h2,9-43,45-66H,1,3-8H2/t9-,10+,11-,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+,41+,42+/m1/s1
C42H72O361152.99954370
2339017

34 of 34 defined stereocentres - 34/34 defined
InChI=1/C42H72O36/c43-1-9-17(50)23(56)29(62)37(68-9)67-8-16(75-38-30(63)24(57)18(51)10(2-44)69-38)35(77-40-32(65)26(59)20(53)12(4-46)71-40)34(76-39-31(64)25(58)19(52)11(3-45)70-39)15(7-49)74-42-36(28(61)22(55)14(6-48)73-42)78-41-33(66)27(60)21(54)13(5-47)72-41/h7,9-48,50-66H,1-6,8H2/t9-,10-,11-,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-,41-,42-/m1/s1
C42H72O361152.999484400
389775

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C42H72O36/c43-1-8-15(50)16(51)24(59)37(67-8)74-31-10(3-45)69-39(26(61)18(31)53)76-33-12(5-47)71-41(28(63)20(33)55)78-35-14(7-49)72-42(29(64)22(35)57)77-34-13(6-48)70-40(27(62)21(34)56)75-32-11(4-46)68-38(25(60)19(32)54)73-30-9(2-44)66-36(65)23(58)17(30)52/h8-65H,1-7H2/t8-,9-,10-,11-,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+,41+,42+/m1/s1
C42H72O361152.99954400
4450616

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C42H72O36/c43-1-8-15(50)16(51)24(59)37(67-8)74-31-10(3-45)69-39(26(61)18(31)53)76-33-12(5-47)71-41(28(63)20(33)55)78-35-14(7-49)72-42(29(64)22(35)57)77-34-13(6-48)70-40(27(62)21(34)56)75-32-11(4-46)68-38(25(60)19(32)54)73-30-9(2-44)66-36(65)23(58)17(30)52/h8-65H,1-7H2/t8-,9-,10-,11-,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-,41-,42-/m1/s1
C42H72O361152.999484400
3643940

0 of 35 defined stereocentres - 0/35 defined
InChI=1/C42H72O36/c43-1-8-15(50)16(51)24(59)37(67-8)74-31-10(3-45)69-39(26(61)18(31)53)76-33-12(5-47)71-41(28(63)20(33)55)78-35-14(7-49)72-42(29(64)22(35)57)77-34-13(6-48)70-40(27(62)21(34)56)75-32-11(4-46)68-38(25(60)19(32)54)73-30-9(2-44)66-36(65)23(58)17(30)52/h8-65H,1-7H2
C42H72O361152.999483100
8411033

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C42H72O36/c43-1-8-15(48)22(55)25(58)37(69-8)66-6-13-20(53)34(76-39-27(60)24(57)17(50)10(3-45)71-39)30(63)42(74-13)77-33-19(52)12(5-47)72-40(29(33)62)78-35-21(54)14(7-67-38-26(59)23(56)16(49)9(2-44)70-38)73-41(31(35)64)75-32-18(51)11(4-46)68-36(65)28(32)61/h8-65H,1-7H2/t8-,9-,10-,11-,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+,41+,42+/m1/s1
C42H72O361152.99953500
34999699

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C42H72O36/c43-1-8-15(48)18(51)26(59)37(69-8)66-6-13-16(49)19(52)27(60)39(73-13)77-35-12(5-47)72-42(31(64)24(35)57)78-33-10(3-45)70-38(29(62)22(33)55)67-7-14-17(50)20(53)28(61)40(74-14)76-34-11(4-46)71-41(30(63)23(34)56)75-32-9(2-44)68-36(65)25(58)21(32)54/h8-65H,1-7H2/t8-,9-,10-,11-,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-,41-,42-/m1/s1
C42H72O361152.99952300
35032559

34 of 35 defined stereocentres - 34/35 defined
InChI=1/C42H72O36/c43-1-8-15(50)16(51)24(59)37(67-8)74-31-10(3-45)69-39(26(61)18(31)53)76-33-12(5-47)71-41(28(63)20(33)55)78-35-14(7-49)72-42(29(64)22(35)57)77-34-13(6-48)70-40(27(62)21(34)56)75-32-11(4-46)68-38(25(60)19(32)54)73-30-9(2-44)66-36(65)23(58)17(30)52/h8-65H,1-7H2/t8-,9+,10-,11+,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+,41-,42+/m0/s1
C42H72O361152.99952100
64860104

33 of 35 defined stereocentres - 33/35 defined
InChI=1/C42H70O35.H2O/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51;/h8-63H,1-7H2;1H2/t8-,9-,10-,11-,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-,41-,42-;/m1./s1
C42H72O361152.99952200
88294199

34 of 35 defined stereocentres - 34/35 defined
InChI=1/C42H72O36/c43-1-8-15(46)22(53)27(58)37(71-8)66-4-11-17(48)24(55)28(59)38(74-11)67-6-13-19(50)26(57)31(62)42(76-13)78-35-20(51)10(3-45)72-40(33(35)64)69-5-12-18(49)25(56)29(60)39(75-12)68-7-14-21(52)34(32(63)36(65)70-14)77-41-30(61)23(54)16(47)9(2-44)73-41/h8-65H,1-7H2/t8-,9-,10-,11-,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-,41+,42+/m1/s1
C42H72O361152.99952200
88294205

34 of 35 defined stereocentres - 34/35 defined
InChI=1/C42H72O36/c43-1-8-15(44)23(52)30(59)37(73-8)67-3-10-17(46)25(54)32(61)39(75-10)69-5-12-19(48)27(56)34(63)41(77-12)71-7-14-21(50)28(57)35(64)42(78-14)70-6-13-20(49)26(55)33(62)40(76-13)68-4-11-18(47)24(53)31(60)38(74-11)66-2-9-16(45)22(51)29(58)36(65)72-9/h8-65H,1-7H2/t8-,9-,10-,11-,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+,41+,42+/m1/s1
C42H72O361152.99952200
8300062

33 of 35 defined stereocentres - 33/35 defined
InChI=1/C42H72O36/c1-65-36-27(60)34(26(59)35(64)78-36)77-42-30(63)33(19(52)13(73-42)7-67-38-24(57)21(54)15(48)9(3-44)69-38)76-40-28(61)31(17(50)11(5-46)71-40)75-41-29(62)32(74-39-25(58)22(55)16(49)10(4-45)70-39)18(51)12(72-41)6-66-37-23(56)20(53)14(47)8(2-43)68-37/h8-64H,2-7H2,1H3/t8-,9-,10-,11-,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+,41-,42-/m1/s1
C42H72O361152.99952100
123

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