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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 92 results

Search term: C41H64O14 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2006532

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1
C41H64O14780.93851111759840127
82657

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C41H64O14/c1-19-36(47)27(42)14-33(50-19)54-38-21(3)52-34(16-29(38)44)55-37-20(2)51-32(15-28(37)43)53-24-8-10-39(4)23(13-24)6-7-26-25(39)9-11-40(5)35(22-12-31(46)49-18-22)30(45)17-41(26,40)48/h12,19-21,23-30,32-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25+,26-,27+,28+,29+,30+,32+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
C41H64O14780.93855513300
2954

0 of 21 defined stereocentres - 0/21 defined
InChI=1/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3
C41H64O14780.938519682000
28162

20 of 21 defined stereocentres - 20/21 defined
InChI=1/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25?,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1
C41H64O14780.9385141100
62959986

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C41H64O14/c1-19(2)36(46)53-33-34-38(7)14-12-25(52-28-18-27(47-9)31(22(5)49-28)54-37-30(45)32(48-10)29(44)21(4)50-37)17-24(38)11-15-40(34)41(55-40)16-13-26(20(3)42)39(41,8)35(33)51-23(6)43/h19,21-22,24-35,37,44-45H,11-18H2,1-10H3/t21-,22-,24+,25+,26+,27-,28+,29-,30-,31-,32-,33+,34-,35-,37+,38+,39+,40+,41-/m1/s1
C41H64O14780.9385141400
4642425

19 of 21 defined stereocentres - 19/21 defined
InChI=1/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26?,27?,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1
C41H64O14780.9385111000
229996

0 of 21 defined stereocentres - 0/21 defined
InChI=1/C41H64O14/c1-19-36(47)27(42)14-33(50-19)54-38-21(3)52-34(16-29(38)44)55-37-20(2)51-32(15-28(37)43)53-24-8-10-39(4)23(13-24)6-7-26-25(39)9-11-40(5)35(22-12-31(46)49-18-22)30(45)17-41(26,40)48/h12,19-21,23-30,32-38,42-45,47-48H,6-11,13-18H2,1-5H3
C41H64O14780.9385101200
58807058

18 of 19 defined stereocentres - 18/19 defined
InChI=1/C41H64O14/c1-19(2)36(46)53-33-34-38(7)14-12-25(52-28-18-27(47-9)31(22(5)49-28)54-37-30(45)32(48-10)29(44)21(4)50-37)17-24(38)11-15-40(34)41(55-40)16-13-26(20(3)42)39(41,8)35(33)51-23(6)43/h19,21-22,24-35,37,44-45H,11-18H2,1-10H3/t21-,22-,24+,25+,26+,27-,28-,29-,30-,31-,32-,33+,34-,35-,37+,38+,39+,40?,41-/m1/s1
C41H64O14780.93857700
17460010

15 of 21 defined stereocentres - 15/21 defined
InChI=1/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23?,24+,25-,26-,27?,28+,29+,30+,31-,33+,34?,35?,36-,37?,38?,39+,40+,41+/m1/s1
C41H64O14780.93857200
5140820

17 of 21 defined stereocentres - 17/21 defined
InChI=1/C41H64O14/c1-19-36(47)27(42)14-33(50-19)54-38-21(3)52-34(16-29(38)44)55-37-20(2)51-32(15-28(37)43)53-24-8-10-39(4)23(13-24)6-7-26-25(39)9-11-40(5)35(22-12-31(46)49-18-22)30(45)17-41(26,40)48/h12,19-21,23-30,32-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25?,26-,27+,28+,29+,30+,32+,33?,34?,35+,36?,37-,38-,39+,40-,41+/m1/s1
C41H64O14780.93856400
2339610

20 of 21 defined stereocentres - 20/21 defined
InChI=1/C41H64O14/c1-19-36(46)28(43)15-32(50-19)54-30-17-34(52-21(3)38(30)55-33-16-29(44)37(47)20(2)51-33)53-24-6-9-39(4)23(13-24)14-27(42)35-26(39)7-10-40(5)25(8-11-41(35,40)48)22-12-31(45)49-18-22/h12,19-21,23-30,32-38,42-44,46-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23+,24+,25-,26+,27+,28+,29+,30+,32-,33-,34-,35+,36-,37-,38-,39+,40-,41?/m1/s1
C41H64O14780.9384599999986500
154462

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C41H64O14/c1-36(2)16-20-19-8-9-23-38(5)12-11-25(37(3,4)22(38)10-13-40(23,7)39(19,6)14-15-41(20,35(50)51)24(43)17-36)53-34-29(47)30(28(46)31(55-34)32(48)49)54-33-27(45)26(44)21(42)18-52-33/h8,20-31,33-34,42-47H,9-18H2,1-7H3,(H,48,49)(H,50,51)/t20-,21+,22-,23+,24-,25-,26-,27+,28-,29+,30-,31-,33-,34+,38-,39+,40+,41-/m0/s1
C41H64O14780.93855400
17466697

16 of 21 defined stereocentres - 16/21 defined
InChI=1/C41H64O14/c1-19-36(47)27(42)14-33(50-19)54-38-21(3)52-34(16-29(38)44)55-37-20(2)51-32(15-28(37)43)53-24-8-10-39(4)23(13-24)6-7-26-25(39)9-11-40(5)35(22-12-31(46)49-18-22)30(45)17-41(26,40)48/h12,19-21,23-30,32-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25?,26-,27+,28+,29+,30+,32+,33?,34?,35+,36-,37?,38?,39+,40-,41+/m1/s1
C41H64O14780.93854100
17467848

8 of 21 defined stereocentres - 8/21 defined
InChI=1/C41H64O14/c1-19-36(47)27(42)14-33(50-19)54-38-21(3)52-34(16-29(38)44)55-37-20(2)51-32(15-28(37)43)53-24-8-10-39(4)23(13-24)6-7-26-25(39)9-11-40(5)35(22-12-31(46)49-18-22)30(45)17-41(26,40)48/h12,19-21,23-30,32-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19?,20?,21?,23?,24-,25-,26+,27?,28?,29?,30-,32?,33?,34?,35-,36?,37?,38?,39-,40+,41-/m0/s1
C41H64O14780.93854100
17468710

17 of 21 defined stereocentres - 17/21 defined
InChI=1/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23+,24+,25-,26-,27+,28+,29+,30+,31-,33+,34?,35?,36-,37?,38?,39+,40+,41+/m1/s1
C41H64O14780.93854100
22938269

2 of 21 defined stereocentres - 2/21 defined
InChI=1/C41H64O14/c1-19-36(47)27(42)14-33(50-19)54-38-21(3)52-34(16-29(38)44)55-37-20(2)51-32(15-28(37)43)53-24-8-10-39(4)23(13-24)6-7-26-25(39)9-11-40(5)35(22-12-31(46)49-18-22)30(45)17-41(26,40)48/h12,19-21,23-30,32-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19?,20?,21?,23?,24?,25-,26+,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?/m0/s1
C41H64O14780.93854200
25031060

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C41H64O14/c1-8-22(17(2)3)25(42)15-18(4)26-29(44)30(45)27-23-10-9-20-16-21(11-13-40(20,6)24(23)12-14-41(26,27)7)53-39-34(49)32(47)35(36(55-39)37(50)51)54-38-33(48)31(46)28(43)19(5)52-38/h17-24,27-28,31-36,38-39,43-44,46-49H,8-16H2,1-7H3,(H,50,51)/t18-,19-,20+,21+,22-,23-,24+,27+,28-,31+,32-,33+,34-,35+,36+,38-,39-,40+,41-/m1/s1
C41H64O14780.93854400
25058489

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C41H64O14/c1-8-22(18(2)3)25(42)15-19(4)27-30(45)31(46)28-23-10-9-20-16-21(11-13-40(20,5)24(23)12-14-41(27,28)6)53-39-34(49)35(33(48)36(55-39)37(50)51-7)54-38-32(47)29(44)26(43)17-52-38/h18-24,26,28-29,32-36,38-39,43-45,47-49H,8-17H2,1-7H3/t19-,20+,21+,22-,23-,24+,26-,28+,29+,32-,33+,34-,35+,36+,38+,39-,40+,41-/m1/s1
C41H64O14780.93854400
28467538

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
C41H64O14780.93854300
68151584

19 of 21 defined stereocentres - 19/21 defined
InChI=1/C41H64O14/c1-19-36(46)27(42)14-32(50-19)54-30-16-34(52-21(3)38(30)55-33-15-28(43)37(47)20(2)51-33)53-24-8-10-39(4)23(13-24)6-7-26-25(39)9-11-40(5)35(22-12-31(45)49-18-22)29(44)17-41(26,40)48/h12,19-21,23-30,32-38,42-44,46-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25?,26?,27+,28+,29+,30+,32+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
C41H64O14780.93854400
12345

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