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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 53 results

Search term: C38H69NO13 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10342604


18 of 18 defined stereocentres - 18/18 defined
InChI=1/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
C38H69NO13747.9534102149580136
4447591

17 of 18 defined stereocentres - 17/18 defined
InChI=1/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22?,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
C38H69NO13747.953359999998233000
3852779

0 of 18 defined stereocentres - 0/18 defined
InChI=1/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3
C38H69NO13747.953414350100
75818

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21-,22+,23-,24+,25+,26+,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
C38H69NO13747.9534113100
21112273

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25-,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
C38H69NO13747.953494575936
7986949

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20+,21+,22+,23-,24+,25-,26-,27+,29+,30+,31-,32+,33-,35-,36-,37-,38-/m1/s1
C38H69NO13747.95349500
26943880

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22-,23-,24+,25-,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
C38H69NO13747.95345100
76795888

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22-,23-,24+,25+,26-,27+,29-,30-,31+,32+,33-,35+,36-,37+,38-/m1/s1
C38H69NO13747.95343300
4470587

16 of 18 defined stereocentres - 16/18 defined
InChI=1/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27?,29-,30+,31-,32+,33-,35?,36-,37-,38-/m1/s1
C38H69NO13747.9533599999983300
7986443

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21-,22+,23-,24+,25+,26+,27+,29-,30-,31-,32+,33-,35+,36-,37+,38-/m1/s1
C38H69NO13747.95343300
10143357

5 of 18 defined stereocentres - 5/18 defined
InChI=1/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19?,20?,21-,22?,23+,24?,25?,26?,27?,29?,30?,31+,32?,33?,35?,36?,37+,38+/m0/s1
C38H69NO13747.95343800
428489

16 of 18 defined stereocentres - 16/18 defined
InChI=1/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21-,22+,23-,24+,25+,26+,27?,29-,30+,31-,32+,33-,35+,36-,37?,38-/m1/s1
C38H69NO13747.95342200
8029226

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C38H69NO13/c1-14-26-37(10,45)31(42)21(5)28(40)19(3)17-38(46,15-2)33(52-35-29(41)25(39(11)12)16-20(4)48-35)22(6)30(23(7)34(44)50-26)51-27-18-36(9,47-13)32(43)24(8)49-27/h19-27,29-33,35,41-43,45-46H,14-18H2,1-13H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
C38H69NO13747.95342100
8072532

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C38H69NO13/c1-14-15-26-38(10,46)31(42)21(4)28(40)19(2)17-36(8,45)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-37(9,47-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45-46H,14-18H2,1-13H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
C38H69NO13747.95342100
8072533

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C38H69NO13/c1-13-28-38(46,15-3)27(41)17-26(40)20(4)18-37(45,14-2)33(52-35-30(42)25(39(10)11)16-21(5)48-35)22(6)31(23(7)34(44)50-28)51-29-19-36(9,47-12)32(43)24(8)49-29/h20-25,27-33,35,41-43,45-46H,13-19H2,1-12H3/t20-,21-,22+,23-,24+,25+,27-,28-,29+,30-,31+,32+,33-,35+,36-,37-,38+/m1/s1
C38H69NO13747.95342100
8322563

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20+,21-,22-,23+,24-,25-,26+,27-,29+,30-,31+,32-,33+,35-,36+,37+,38+/m0/s1
C38H69NO13747.95342100
8638183

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C38H69NO13/c1-15-26-38(10,47-14)31(42)21(4)28(40)19(2)17-36(8,45)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-37(9,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21-,22+,23-,24+,25+,26+,27+,29-,30+,31-,32+,33-,35+,36+,37-,38-/m1/s1
C38H69NO13747.95342100
8660605

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C38H69NO13/c1-14-26-37(10,45)31(42)21(5)28(40)19(3)17-38(46,15-2)33(52-35-29(41)25(39(11)12)16-20(4)48-35)22(6)30(23(7)34(44)50-26)51-27-18-36(9,47-13)32(43)24(8)49-27/h19-27,29-33,35,41-43,45-46H,14-18H2,1-13H3/t19-,20+,21+,22+,23-,24+,25-,26-,27+,29+,30+,31-,32+,33-,35-,36-,37-,38-/m1/s1
C38H69NO13747.95342100
9171467

Double-bond stereo

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C38H69NO13/c1-15-27(40)36(8,45)17-20(2)29(41)21(3)18-37(9,46)33(52-35-30(42)26(39(11)12)16-22(4)49-35)23(5)31(24(6)34(44)47-13)51-28-19-38(10,48-14)32(43)25(7)50-28/h17,21-28,30-33,35,40,42-43,45-46H,15-16,18-19H2,1-14H3/b20-17+/t21-,22-,23+,24-,25+,26+,27-,28+,30-,31+,32+,33-,35+,36+,37+,38-/m1/s1
C38H69NO13747.95342100
10003392

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27-,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
C38H69NO13747.95342100
123

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