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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 104 results

Search term: C41H66O12 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
66036

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1
C41H66O12750.9555534900
9896563

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C41H66O12/c1-20(2)22-10-15-41(36(48)49)17-16-39(6)23(28(22)41)8-9-26-37(4)13-12-27(38(5,19-42)25(37)11-14-40(26,39)7)52-35-33(30(45)24(43)18-50-35)53-34-32(47)31(46)29(44)21(3)51-34/h21-35,42-47H,1,8-19H2,2-7H3,(H,48,49)/t21-,22-,23+,24-,25+,26+,27-,28+,29-,30-,31+,32+,33+,34-,35-,37-,38-,39+,40+,41-/m0/s1
C41H66O12750.9555343100
22912707

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C41H66O12/c1-9-29-21-33-13-17-36(52-33)27(7)40(44)48-23(3)19-31-11-15-34(50-31)25(5)38(42)46-22(2)18-30-10-14-35(49-30)26(6)39(43)47-24(4)20-32-12-16-37(51-32)28(8)41(45)53-29/h22-37H,9-21H2,1-8H3/t22-,23+,24+,25-,26+,27+,28-,29-,30-,31+,32+,33-,34-,35+,36+,37-/m1/s1
C41H66O12750.9555232000
28599759

17 of 18 defined stereocentres - 17/18 defined
InChI=1/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23+,24-,25?,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1
C41H66O12750.9555181300
20148483

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22-,23-,24+,25-,26+,27-,28-,29+,30-,31+,32+,33-,34-,38-,39+,40+,41-/m0/s1
C41H66O12750.9555151300
4956277

16 of 17 defined stereocentres - 16/17 defined
InChI=1/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22-,23+,24-,25?,26-,27+,28+,29-,30+,31-,32-,33-,34+,38+,39-,40-,41+/m1/s1
C41H66O12750.955510700
16498793

17 of 18 defined stereocentres - 17/18 defined
InChI=1/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30-,31+,32+,33?,34-,37-,38+,39+,40+,41-/m0/s1
C41H66O12750.955598588
234993

0 of 18 defined stereocentres - 0/18 defined
InChI=1/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)
C41H66O12750.955573600
8072559

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C41H66O12/c1-21(2)9-8-10-22(3)23-14-18-41(37(48)49)25-11-12-28-38(4,5)29(15-16-39(28,6)24(25)13-17-40(23,41)7)52-36-34(30(44)26(43)20-50-36)53-35-33(47)32(46)31(45)27(19-42)51-35/h9,22-23,26-36,42-47H,8,10-20H2,1-7H3,(H,48,49)/t22-,23-,26+,27-,28+,29+,30+,31+,32+,33-,34-,35+,36+,39-,40-,41+/m1/s1
C41H66O12750.95556500
30783484

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C41H66O12/c1-20(2)22-10-15-41(36(48)49)17-16-39(6)23(28(22)41)8-9-26-37(4)13-12-27(38(5,19-42)25(37)11-14-40(26,39)7)52-35-33(30(45)24(43)18-50-35)53-34-32(47)31(46)29(44)21(3)51-34/h21-35,42-47H,1,8-19H2,2-7H3,(H,48,49)/t21-,22+,23-,24+,25-,26-,27+,28-,29-,30+,31+,32+,33-,34-,35+,37+,38+,39-,40-,41+/m1/s1
C41H66O12750.95556500
90615813

15 of 17 defined stereocentres - 15/17 defined
InChI=1/C41H66O12/c1-36(2)14-16-41(35(49)53-34-32(48)30(46)29(45)24(19-42)51-34)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-33-31(47)28(44)23(43)20-50-33/h8,22-34,42-48H,9-20H2,1-7H3/t22-,23-,24+,25?,26?,27-,28-,29+,30-,31+,32+,33-,34-,38-,39+,40+,41-/m0/s1
C41H66O12750.95555300
90615880

16 of 18 defined stereocentres - 16/18 defined
InChI=1/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-38(5)25(36(27,2)3)10-13-40(7)26(38)9-8-22-23-18-37(4,20-42)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25?,26?,27-,28-,29-,30+,31+,32+,33-,34-,37+,38-,39+,40+,41-/m0/s1
C41H66O12750.95554200
35015136

18 of 19 defined stereocentres - 18/19 defined
InChI=1/C41H66O12/c1-20-10-15-41(36(48)49)17-16-39(6)22(28(41)21(20)2)8-9-26-38(5)13-12-27(37(3,4)25(38)11-14-40(26,39)7)53-34-32(46)30(44)24(19-50-34)52-35-33(47)31(45)29(43)23(18-42)51-35/h8,20-21,23-35,42-47H,9-19H2,1-7H3,(H,48,49)/t20-,21+,23-,24-,25?,26-,27+,28+,29-,30+,31+,32-,33-,34+,35+,38+,39-,40-,41+/m1/s1
C41H66O12750.95554400
60958874

17 of 18 defined stereocentres - 17/18 defined
InChI=1/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28?,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1
C41H66O12750.95554300
62285707

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C41H66O12/c1-6-7-8-9-13-18-36(43)48-25-32-24-33(42)35-21-27(3)34(53-35)17-12-10-11-15-26(2)20-30-23-31(22-29(50-30)16-14-19-37(44)51-32)52-41-40(47-5)39(46)38(45)28(4)49-41/h10-12,14-15,19,26-35,38-42,45-46H,6-9,13,16-18,20-25H2,1-5H3/b12-10-,15-11+,19-14+/t26-,27-,28-,29-,30+,31+,32-,33-,34-,35-,38-,39+,40+,41-/m0/s1
C41H66O12750.95554400
17600645

16 of 18 defined stereocentres - 16/18 defined
InChI=1/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23+,24-,25?,26?,27+,28-,29-,30-,31+,32+,33-,34-,37+,38+,39-,40-,41+/m1/s1
C41H66O12750.95554300
432853

0 of 17 defined stereocentres - 0/17 defined
InChI=1/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)
C41H66O12750.95554300
5140864

13 of 18 defined stereocentres - 13/18 defined
InChI=1/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23?,24-,25?,26?,27-,28-,29-,30+,31+,32+,33?,34?,37-,38-,39+,40+,41-/m0/s1
C41H66O12750.95554300
68894985

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C41H66O12/c1-20(2)22-10-15-41(36(48)49)17-16-39(6)23(28(22)41)8-9-26-37(4)13-12-27(38(5,19-42)25(37)11-14-40(26,39)7)52-35-33(30(45)24(43)18-50-35)53-34-32(47)31(46)29(44)21(3)51-34/h21-35,42-47H,1,8-19H2,2-7H3,(H,48,49)/t21-,22-,23+,24-,25+,26+,27-,28+,29-,30-,31+,32+,33+,34-,35-,37-,38-,39+,40+,41-/m1/s1
C41H66O12750.95553100
88297994

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C41H66O12/c1-9-29-21-33-13-17-36(52-33)27(7)40(44)48-23(3)19-31-11-15-34(50-31)25(5)38(42)46-22(2)18-30-10-14-35(49-30)26(6)39(43)47-24(4)20-32-12-16-37(51-32)28(8)41(45)53-29/h22-37H,9-21H2,1-8H3/t22-,23-,24-,25-,26-,27+,28-,29-,30-,31-,32-,33-,34+,35-,36-,37-/m0/s1
C41H66O12750.95553200
12345

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