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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 34 results

Search term: C39H66O14 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
71117635

21 of 22 defined stereocentres - 21/22 defined
InChI=1/C39H66O14/c1-17(2)8-13-39(48)18(3)25-33(53-39)29(44)26-21-7-6-19-14-20(9-11-37(19,4)22(21)10-12-38(25,26)5)49-36-34(31(46)28(43)24(16-41)51-36)52-35-32(47)30(45)27(42)23(15-40)50-35/h17-36,40-48H,6-16H2,1-5H3/t18-,19+,20-,21+,22-,23+,24+,25-,26+,27+,28-,29+,30-,31-,32+,33+,34+,35-,36+,37-,38+,39?/m0/s1
C39H66O14758.9329111200
441259

20 of 21 defined stereocentres - 20/21 defined
InChI=1/C39H66O14/c1-18(20(3)15-50-35-33(31(47)26(44)16-51-35)53-36-32(49-6)30(46)25(43)17-52-36)7-8-19(2)21-13-23(41)34-37(21,4)12-10-27-38(5)11-9-22(40)29(45)28(38)24(42)14-39(27,34)48/h19-36,40-48H,1,7-17H2,2-6H3/t19-,20?,21-,22+,23-,24+,25-,26-,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+/m1/s1
C39H66O14758.93297600
165755

21 of 22 defined stereocentres - 21/22 defined
InChI=1/C39H66O14/c1-18(17-49-35-33(46)31(44)29(42)26(15-40)51-35)7-12-39(48)19(2)28-25(53-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)50-36-34(47)32(45)30(43)27(16-41)52-36/h18-36,40-48H,5-17H2,1-4H3/t18-,19-,20+,21-,22+,23-,24-,25-,26+,27+,28-,29+,30+,31-,32-,33+,34+,35+,36+,37-,38-,39?/m0/s1
C39H66O14758.93294400
8185926

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C39H66O14/c1-17(2)6-9-24(43)18(3)29-25(50-36-34(48)32(46)30(44)26(15-40)51-36)14-23-21-8-7-19-12-20(42)13-28(39(19,5)22(21)10-11-38(23,29)4)53-37-35(49)33(47)31(45)27(16-41)52-37/h7,17-18,20-37,40-49H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23+,24+,25+,26-,27-,28-,29+,30-,31-,32+,33+,34-,35-,36-,37+,38+,39+/m1/s1
C39H66O14758.93294300
17467254

9 of 21 defined stereocentres - 9/21 defined
InChI=1/C39H66O14/c1-17(2)6-9-24(43)18(3)29-25(50-36-34(48)32(46)30(44)26(15-40)51-36)14-23-21-8-7-19-12-20(42)13-28(39(19,5)22(21)10-11-38(23,29)4)53-37-35(49)33(47)31(45)27(16-41)52-37/h7,17-18,20-37,40-49H,6,8-16H2,1-5H3/t18-,20-,21-,22?,23?,24+,25+,26?,27?,28-,29+,30?,31?,32?,33?,34?,35?,36?,37?,38+,39+/m1/s1
C39H66O14758.93293100
2331841

15 of 21 defined stereocentres - 15/21 defined
InChI=1/C39H66O14/c1-17(2)6-9-24(43)18(3)29-25(50-36-34(48)32(46)30(44)26(15-40)51-36)14-23-21-8-7-19-12-20(42)13-28(39(19,5)22(21)10-11-38(23,29)4)53-37-35(49)33(47)31(45)27(16-41)52-37/h7,17-18,20-37,40-49H,6,8-16H2,1-5H3/t18-,20?,21?,22?,23?,24?,25-,26-,27-,28?,29+,30+,31-,32+,33+,34-,35-,36+,37+,38+,39+/m1/s1
C39H66O14758.9329399999983300
103748928

20 of 22 defined stereocentres - 20/22 defined
InChI=1/C39H66O14/c1-17(2)8-13-39(48)18(3)25-33(53-39)29(44)26-21-7-6-19-14-20(9-11-37(19,4)22(21)10-12-38(25,26)5)49-36-34(31(46)28(43)24(16-41)51-36)52-35-32(47)30(45)27(42)23(15-40)50-35/h17-36,40-48H,6-16H2,1-5H3/t18-,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29?,30-,31-,32+,33+,34+,35-,36+,37-,38+,39?/m0/s1
C39H66O14758.93293200
8051095

15 of 22 defined stereocentres - 15/22 defined
InChI=1/C39H66O14/c1-17(2)14-39(48-6)18(3)25-33(53-39)29(44)26-21-8-7-19-13-20(9-11-37(19,4)22(21)10-12-38(25,26)5)49-36-34(31(46)28(43)24(16-41)51-36)52-35-32(47)30(45)27(42)23(15-40)50-35/h17-36,40-47H,7-16H2,1-6H3/t18-,19+,20?,21?,22?,23+,24+,25?,26?,27+,28-,29+,30-,31-,32+,33?,34+,35-,36+,37-,38+,39?/m0/s1
C39H66O14758.93292100
23327013

Double-bond stereo

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C39H66O14/c1-18(20(3)15-50-35-33(31(47)26(44)16-51-35)53-36-32(49-6)30(46)25(43)17-52-36)7-8-19(2)21-13-23(41)34-37(21,4)12-10-27-38(5)11-9-22(40)29(45)28(38)24(42)14-39(27,34)48/h7-8,18-36,40-48H,9-17H2,1-6H3/b8-7+/t18-,19-,20-,21-,22+,23-,24+,25-,26-,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+/m1/s1
C39H66O14758.93292200
29213353

14 of 20 defined stereocentres - 14/20 defined
InChI=1/C39H66O14/c1-18(2)20(16-50-35-32(47)29(44)25(15-40)53-35)8-7-19(3)27-30(45)31(46)34-38(27,5)12-10-26-37(4)11-9-21(13-22(37)23(41)14-39(26,34)48)52-36-33(49-6)28(43)24(42)17-51-36/h13,18-21,23-36,40-48H,7-12,14-17H2,1-6H3/t19-,20-,21+,23-,24-,25?,26-,27+,28?,29?,30-,31+,32?,33?,34-,35?,36+,37+,38-,39+/m1/s1
C39H66O14758.93292200
29216837

Double-bond stereo

13 of 21 defined stereocentres - 13/21 defined
InChI=1/C39H66O14/c1-19(17-50-36-33(30(45)25(16-40)52-36)53-35-32(49-6)31(46)26(48-5)18-51-35)8-7-9-20(2)21-14-23(42)34-37(21,3)13-11-27-38(4)12-10-22(41)29(44)28(38)24(43)15-39(27,34)47/h7,9,19-36,40-47H,8,10-18H2,1-6H3/b9-7+/t19-,20+,21+,22-,23+,24-,25?,26?,27+,28-,29-,30?,31?,32?,33?,34+,35?,36?,37+,38+,39-/m0/s1
C39H66O14758.93292200
29216842

12 of 21 defined stereocentres - 12/21 defined
InChI=1/C39H66O14/c1-18(20(3)16-50-36-33(31(46)25(15-40)52-36)53-35-32(47)30(45)26(49-6)17-51-35)7-8-19(2)21-13-23(42)34-37(21,4)12-10-27-38(5)11-9-22(41)29(44)28(38)24(43)14-39(27,34)48/h19-36,40-48H,1,7-17H2,2-6H3/t19-,20?,21-,22+,23-,24+,25?,26?,27-,28+,29+,30?,31?,32?,33?,34-,35?,36?,37-,38-,39+/m1/s1
C39H66O14758.93292200
29216943

Double-bond stereo

14 of 22 defined stereocentres - 14/22 defined
InChI=1/C39H66O14/c1-18(20(3)15-50-35-33(31(47)26(44)16-51-35)53-36-32(49-6)30(46)25(43)17-52-36)7-8-19(2)21-13-23(41)34-37(21,4)12-10-27-38(5)11-9-22(40)29(45)28(38)24(42)14-39(27,34)48/h7-8,18-36,40-48H,9-17H2,1-6H3/b8-7+/t18-,19-,20-,21-,22+,23-,24+,25?,26?,27-,28+,29+,30?,31?,32?,33?,34-,35?,36?,37-,38-,39+/m1/s1
C39H66O14758.93292200
29216945

12 of 21 defined stereocentres - 12/21 defined
InChI=1/C39H66O14/c1-18(20(3)15-50-35-33(31(47)26(44)16-51-35)53-36-32(49-6)30(46)25(43)17-52-36)7-8-19(2)21-13-23(41)34-37(21,4)12-10-27-38(5)11-9-22(40)29(45)28(38)24(42)14-39(27,34)48/h19-36,40-48H,1,7-17H2,2-6H3/t19-,20?,21-,22+,23-,24+,25?,26?,27-,28+,29+,30?,31?,32?,33?,34-,35?,36?,37-,38-,39+/m1/s1
C39H66O14758.93292200
8231467

20 of 22 defined stereocentres - 20/22 defined
InChI=1/C39H66O14/c1-17(2)8-13-39(48)18(3)25-33(53-39)29(44)26-21-7-6-19-14-20(9-11-37(19,4)22(21)10-12-38(25,26)5)49-36-34(31(46)28(43)24(16-41)51-36)52-35-32(47)30(45)27(42)23(15-40)50-35/h17-36,40-48H,6-16H2,1-5H3/t18-,19?,20-,21+,22-,23+,24+,25-,26+,27+,28-,29+,30-,31-,32+,33+,34+,35-,36+,37-,38+,39?/m0/s1
C39H66O14758.93292100
8435037

17 of 21 defined stereocentres - 17/21 defined
InChI=1/C39H66O14/c1-17(2)6-9-24(43)18(3)29-25(50-36-34(48)32(46)30(44)26(15-40)51-36)14-23-21-8-7-19-12-20(42)13-28(39(19,5)22(21)10-11-38(23,29)4)53-37-35(49)33(47)31(45)27(16-41)52-37/h7,17-18,20-37,40-49H,6,8-16H2,1-5H3/t18-,20-,21?,22?,23?,24-,25?,26-,27-,28-,29+,30+,31-,32+,33+,34-,35-,36+,37-,38+,39+/m1/s1
C39H66O14758.93292100
8503242

16 of 21 defined stereocentres - 16/21 defined
InChI=1/C39H66O14/c1-18(20(3)15-50-35-33(31(47)26(44)16-51-35)53-36-32(49-6)30(46)25(43)17-52-36)7-8-19(2)21-13-23(41)34-37(21,4)12-10-27-38(5)11-9-22(40)29(45)28(38)24(42)14-39(27,34)48/h19-36,40-48H,1,7-17H2,2-6H3/t19-,20?,21?,22+,23-,24+,25-,26-,27?,28?,29+,30+,31+,32-,33-,34?,35-,36+,37-,38-,39+/m1/s1
C39H66O14758.93292100
8525622

20 of 22 defined stereocentres - 20/22 defined
InChI=1/C39H66O14/c1-18(15-40)7-12-39(48)19(2)28-25(53-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)49-36-34(32(46)30(44)27(17-42)51-36)52-35-33(47)31(45)29(43)26(16-41)50-35/h18-36,40-48H,5-17H2,1-4H3/t18-,19+,20+,21+,22-,23+,24+,25?,26-,27-,28?,29-,30+,31+,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1
C39H66O14758.93292100
8593082

20 of 22 defined stereocentres - 20/22 defined
InChI=1/C39H66O14/c1-17(2)8-13-39(48)18(3)25-33(53-39)29(44)26-21-7-6-19-14-20(9-11-37(19,4)22(21)10-12-38(25,26)5)49-36-34(31(46)28(43)24(16-41)51-36)52-35-32(47)30(45)27(42)23(15-40)50-35/h17-36,40-48H,6-16H2,1-5H3/t18-,19?,20-,21+,22-,23+,24+,25-,26+,27+,28-,29-,30-,31-,32+,33+,34+,35-,36+,37-,38+,39?/m0/s1
C39H66O14758.93292100
8875648

19 of 21 defined stereocentres - 19/21 defined
InChI=1/C39H66O14/c1-18(20(3)15-50-35-33(31(47)26(44)16-51-35)53-36-32(49-6)30(46)25(43)17-52-36)7-8-19(2)21-13-23(41)34-37(21,4)12-10-27-38(5)11-9-22(40)29(45)28(38)24(42)14-39(27,34)48/h19-36,40-48H,1,7-17H2,2-6H3/t19-,20?,21-,22+,23-,24+,25-,26-,27-,28?,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+/m1/s1
C39H66O14758.93292100
12

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