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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 105 results

Search term: C42H66O14 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
392000

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C42H66O14/c1-20-37(49-6)29(43)16-35(51-20)55-39-22(3)53-36(18-31(39)45)56-38-21(2)52-34(17-30(38)44)54-25-9-11-40(4)24(14-25)7-8-27-28(40)15-32(46)41(5)26(10-12-42(27,41)48)23-13-33(47)50-19-23/h13,20-22,24-32,34-39,43-46,48H,7-12,14-19H2,1-6H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m1/s1
C42H66O14794.96534441861
10259057

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C42H66O14/c1-37(2)14-16-42(36(52)56-34-30(48)27(45)26(44)22(19-43)53-34)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h8,21-32,34-35,43-49H,9-19H2,1-7H3,(H,50,51)/t21-,22+,23-,24+,25-,26+,27-,28-,29-,30+,31+,32-,34-,35+,39-,40+,41+,42-/m0/s1
C42H66O14794.9653434362
30773369

19 of 20 defined stereocentres - 19/20 defined
InChI=1/C42H66O14/c1-11-20(2)37(47)54-34-35-39(7)15-13-26(53-29-19-28(48-9)32(23(5)50-29)55-38-31(46)33(49-10)30(45)22(4)51-38)18-25(39)12-16-41(35)42(56-41)17-14-27(21(3)43)40(42,8)36(34)52-24(6)44/h20,22-23,25-36,38,45-46H,11-19H2,1-10H3/t20?,22-,23-,25+,26+,27+,28-,29+,30-,31-,32-,33-,34+,35-,36-,38+,39+,40+,41+,42-/m1/s1
C42H66O14794.965252400
8570964

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-32(29(47)28(46)31(55-35)33(49)50)56-34-30(48)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)/t21-,22+,23-,24+,25-,26+,27-,28-,29-,30+,31-,32+,34-,35+,39-,40+,41+,42-/m0/s1
C42H66O14794.965232100
23339856

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H66O14/c1-19-10-15-41(37(52)56-35-33(49)31(47)29(45)23(18-43)54-35)16-17-42(36(50)51)22(27(41)20(19)2)8-9-25-39(6)13-12-26(38(4,5)24(39)11-14-40(25,42)7)55-34-32(48)30(46)28(44)21(3)53-34/h8,19-21,23-35,43-49H,9-18H2,1-7H3,(H,50,51)/t19-,20+,21-,23-,24+,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,39+,40-,41+,42-/m1/s1
C42H66O14794.965181600
28424440

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H66O14/c1-19-10-15-41(36(49)50)16-17-42(37(51)52)22(27(41)20(19)2)8-9-25-39(6)13-12-26(38(4,5)24(39)11-14-40(25,42)7)55-34-32(48)30(46)33(21(3)53-34)56-35-31(47)29(45)28(44)23(18-43)54-35/h8,19-21,23-35,43-48H,9-18H2,1-7H3,(H,49,50)(H,51,52)/t19-,20+,21-,23-,24+,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,35+,39+,40-,41+,42-/m1/s1
C42H66O14794.965131000
390522

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-30(48)31(29(47)32(56-35)33(49)50)55-34-28(46)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)/t21-,22+,23-,24+,25-,26+,27-,28+,29-,30+,31-,32-,34-,35+,39-,40+,41+,42-/m0/s1
C42H66O14794.965101000
2342045

16 of 18 defined stereocentres - 16/18 defined
InChI=1/C42H66O14/c1-37(2)14-16-42(36(52)56-34-30(48)27(45)26(44)22(19-43)53-34)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h8,21-32,34-35,43-49H,9-19H2,1-7H3,(H,50,51)/t21-,22-,23-,24+,25-,26-,27+,28-,29-,30-,31+,32-,34?,35?,39-,40+,41+,42-/m0/s1
C42H66O14794.9650399999989700
10142218

16 of 18 defined stereocentres - 16/18 defined
InChI=1/C42H66O14/c1-37(2)14-16-42(36(52)56-34-30(48)27(45)26(44)22(19-43)53-34)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h8,21-32,34-35,43-49H,9-19H2,1-7H3,(H,50,51)/t21-,22+,23?,24?,25+,26+,27-,28-,29-,30+,31+,32-,34-,35+,39-,40+,41+,42-/m0/s1
C42H66O14794.9658700
23338941

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-30(48)31(29(47)32(56-35)33(49)50)55-34-28(46)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)/t21-,22+,23-,24+,25-,26-,27-,28+,29-,30+,31-,32-,34-,35+,39-,40+,41+,42-/m0/s1
C42H66O14794.9656800
9345362

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C42H66O14/c1-20-37(47)31(49-6)18-36(51-20)56-39-22(3)53-35(17-30(39)44)55-38-21(2)52-34(16-29(38)43)54-25-9-11-40(4)24(14-25)7-8-27-28(40)15-32(45)41(5)26(10-12-42(27,41)48)23-13-33(46)50-19-23/h13,20-22,24-32,34-39,43-45,47-48H,7-12,14-19H2,1-6H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m1/s1
C42H66O14794.9655500
2341598

0 of 21 defined stereocentres - 0/21 defined
InChI=1/C42H66O14/c1-20-37(47)31(49-6)18-36(51-20)56-39-22(3)53-35(17-30(39)44)55-38-21(2)52-34(16-29(38)43)54-25-9-11-40(4)24(14-25)7-8-27-28(40)15-32(45)41(5)26(10-12-42(27,41)48)23-13-33(46)50-19-23/h13,20-22,24-32,34-39,43-45,47-48H,7-12,14-19H2,1-6H3
C42H66O14794.9650399999985300
4022

0 of 21 defined stereocentres - 0/21 defined
InChI=1/C42H66O14/c1-20-37(49-6)29(43)16-35(51-20)55-39-22(3)53-36(18-31(39)45)56-38-21(2)52-34(17-30(38)44)54-25-9-11-40(4)24(14-25)7-8-27-28(40)15-32(46)41(5)26(10-12-42(27,41)48)23-13-33(47)50-19-23/h13,20-22,24-32,34-39,43-46,48H,7-12,14-19H2,1-6H3
C42H66O14794.965522000
29814163

16 of 18 defined stereocentres - 16/18 defined
InChI=1/C42H66O14/c1-37(2)14-16-42(36(52)56-34-30(48)27(45)26(44)22(19-43)53-34)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h8,21-32,34-35,43-49H,9-19H2,1-7H3,(H,50,51)/t21-,22+,23?,24?,25-,26+,27-,28-,29+,30+,31+,32-,34-,35+,39-,40+,41+,42-/m0/s1
C42H66O14794.9655300
32599

20 of 21 defined stereocentres - 20/21 defined
InChI=1/C42H66O14/c1-20-37(49-6)29(43)16-35(51-20)55-39-22(3)53-36(18-31(39)45)56-38-21(2)52-34(17-30(38)44)54-25-9-11-40(4)24(14-25)7-8-27-28(40)15-32(46)41(5)26(10-12-42(27,41)48)23-13-33(47)50-19-23/h13,20-22,24-32,34-39,43-46,48H,7-12,14-19H2,1-6H3/t20-,21-,22-,24-,25+,26?,27-,28+,29+,30+,31+,32-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m1/s1
C42H66O14794.9654300
23339855

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H66O14/c1-19-10-15-41(36(49)50)16-17-42(37(51)52)22(27(41)20(19)2)8-9-25-39(6)13-12-26(38(4,5)24(39)11-14-40(25,42)7)55-35-32(48)33(28(44)21(3)53-35)56-34-31(47)30(46)29(45)23(18-43)54-34/h8,19-21,23-35,43-48H,9-18H2,1-7H3,(H,49,50)(H,51,52)/t19-,20+,21-,23-,24+,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,39+,40-,41+,42-/m1/s1
C42H66O14794.9654500
25052966

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C42H66O14/c1-9-23(18(2)3)26(43)16-19(4)27-30(45)31(46)28-24-11-10-21-17-22(12-14-41(21,6)25(24)13-15-42(27,28)7)54-40-35(50)33(48)36(37(56-40)38(51)52-8)55-39-34(49)32(47)29(44)20(5)53-39/h18-25,28-29,32-37,39-40,44-45,47-50H,9-17H2,1-8H3/t19-,20-,21+,22+,23-,24-,25+,28+,29-,32+,33-,34+,35-,36+,37+,39-,40-,41+,42-/m1/s1
C42H66O14794.9654400
3055767

0 of 20 defined stereocentres - 0/20 defined
InChI=1/C42H66O14/c1-19-10-15-41(37(52)56-35-33(49)31(47)29(45)23(18-43)54-35)16-17-42(36(50)51)22(27(41)20(19)2)8-9-25-39(6)13-12-26(38(4,5)24(39)11-14-40(25,42)7)55-34-32(48)30(46)28(44)21(3)53-34/h8,19-21,23-35,43-49H,9-18H2,1-7H3,(H,50,51)
C42H66O14794.9650399999984200
9620578

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C42H66O14/c1-20-32(56-34-30(47)28(45)27(44)23(19-43)54-34)29(46)31(48)33(53-20)55-26-11-12-39(6)24(38(26,4)5)10-13-40(7)25(39)9-8-21-22-18-37(2,3)14-15-41(22,35(49)50)16-17-42(21,40)36(51)52/h8,20,22-34,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)/t20-,22+,23-,24+,25-,26+,27-,28+,29-,30-,31-,32+,33+,34+,39+,40-,41+,42-/m1/s1
C42H66O14794.9653200
9654661

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C42H66O14/c1-20-27(44)29(46)31(48)33(53-20)55-26-11-12-39(6)24(38(26,4)5)10-13-40(7)25(39)9-8-21-22-18-37(2,3)14-15-41(22,16-17-42(21,40)35(50)51)36(52)56-34-32(49)30(47)28(45)23(19-43)54-34/h8,20,22-34,43-49H,9-19H2,1-7H3,(H,50,51)/t20-,22+,23-,24+,25-,26+,27+,28-,29+,30+,31-,32-,33+,34+,39+,40-,41+,42-/m1/s1
C42H66O14794.9653200
12345

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