Matches any text strings used to describe a molecule.
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 35 results

Search term: C39H38N4O8 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17614356

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C39H38N4O8/c1-4-9-30-41-31-21(2)18-24(36-40-27-12-7-8-13-28(27)42(36)3)19-29(31)43(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)38(49)51-39-34(46)32(44)33(45)35(50-39)37(47)48/h5-8,10-19,32-35,39,44-46H,4,9,20H2,1-3H3,(H,47,48)/t32-,33-,34+,35-,39-/m0/s1
C39H38N4O8690.741272900
23977500

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C39H38N4O8/c1-4-9-30-41-31-21(2)18-24(36-40-27-12-7-8-13-28(27)42(36)3)19-29(31)43(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)38(49)51-39-34(46)32(44)33(45)35(50-39)37(47)48/h5-8,10-19,32-35,39,44-46H,4,9,20H2,1-3H3,(H,47,48)/t32-,33-,34-,35?,39-/m1/s1
C39H38N4O8690.7415100
22378897

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C39H38N4O8/c1-4-9-30-41-31-21(2)18-24(36-40-27-12-7-8-13-28(27)42(36)3)19-29(31)43(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)38(49)51-39-34(46)32(44)33(45)35(50-39)37(47)48/h5-8,10-19,32-35,39,44-46H,4,9,20H2,1-3H3,(H,47,48)
C39H38N4O8690.7413200
21426155

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C39H38N4O8/c44-35(50-24-27-14-6-2-7-15-27)22-33(37(46)42-34(38(47)48)21-29-23-40-31-19-11-10-18-30(29)31)41-36(45)32(20-26-12-4-1-5-13-26)43-39(49)51-25-28-16-8-3-9-17-28/h1-19,23,32-34,40H,20-22,24-25H2,(H,41,45)(H,42,46)(H,43,49)(H,47,48)/t32-,33+,34-/m1/s1
C39H38N4O8690.7412100
8072006

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C39H38N4O8/c1-7-21-18(2)26-14-27-19(3)22(9-12-34(44)45)29(40-27)16-30-23(10-13-35(46)47)20(4)28(41-30)15-32-25-11-8-24(37(48)49)36(38(50)51-6)39(25,5)33(43-32)17-31(21)42-26/h7-8,11,14-17,36,41-42H,1,9-10,12-13H2,2-6H3,(H,44,45)(H,46,47)(H,48,49)/b26-14-,27-14-,28-15-,29-16-,30-16-,31-17-,32-15-,33-17-
C39H38N4O8690.7412100
8458955

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C39H38N4O8/c1-6-25-7-9-26(10-8-25)28-13-17-31(32-18-14-29(20-34(32)38(47)48)36(45)41-21-22(2)3)33(19-28)37(46)42-30-15-11-27(12-16-30)35(40)43-39(49)51-24(5)50-23(4)44/h6-20,22,24H,1,21H2,2-5H3,(H,41,45)(H,42,46)(H,47,48)(H2,40,43,49)
C39H38N4O8690.7412100
9368363

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C39H38N4O8/c1-3-20-46-38-34(41-39(44)49-22-32-30-10-6-4-8-28(30)29-9-5-7-11-31(29)32)36(47-21-24-12-18-27(45-2)19-13-24)35-33(50-38)23-48-37(51-35)25-14-16-26(17-15-25)42-43-40/h3-19,32-38H,1,20-23H2,2H3,(H,41,44)/t33-,34-,35-,36-,37?,38+/m1/s1
C39H38N4O8690.7412100
9687950

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C39H38N4O8/c1-47-29-17-13-27(14-18-29)39(26-9-5-3-6-10-26,28-15-19-30(48-2)20-16-28)50-23-32-35(45)36-38(51-32,43-22-21-33(40)41-37(43)46)25-42(36)34(44)24-49-31-11-7-4-8-12-31/h3-22,32,35-36,45H,23-25H2,1-2H3,(H2,40,41,46)/t32-,35-,36-,38-/m1/s1
C39H38N4O8690.7412100
114392568

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C39H38N4O8/c1-4-9-30-41-31-21(2)18-24(36-40-27-12-7-8-13-28(27)42(36)3)19-29(31)43(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)38(49)51-39-34(46)32(44)33(45)35(50-39)37(47)48/h5-8,10-19,32-35,39,44-46H,4,9,20H2,1-3H3,(H,47,48)/t32-,33-,34+,35-,39?/m0/s1
C39H38N4O8690.7411100
115041689

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C39H38N4O8/c1-25(44)40-34-35(45)32(51-37(34)43-23-22-33(42-38(43)47)41-36(46)26-10-6-4-7-11-26)24-50-39(27-12-8-5-9-13-27,28-14-18-30(48-2)19-15-28)29-16-20-31(49-3)21-17-29/h4-23,32,34-35,37,45H,24H2,1-3H3,(H,40,44)(H,41,42,46,47)/t32-,34?,35-,37-/m1/s1
C39H38N4O8690.7411100
121008863

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C39H38N4O8/c1-22-6-7-23(2)32(16-22)43-38(47)29-14-10-27(18-30(29)39(43)48)36(45)41-31(17-25-8-12-28(13-9-25)51-24(3)44)37(46)40-20-33(42(4)5)26-11-15-34-35(19-26)50-21-49-34/h6-16,18-19,31,33H,17,20-21H2,1-5H3,(H,40,46)(H,41,45)
C39H38N4O8690.7411100
121014323

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C39H38N4O8/c1-48-29-11-8-27(9-12-29)33(42-15-17-49-18-16-42)22-40-37(45)32(19-25-5-3-2-4-6-25)41-36(44)28-10-13-30-31(21-28)39(47)43(38(30)46)23-26-7-14-34-35(20-26)51-24-50-34/h2-14,20-21,32-33H,15-19,22-24H2,1H3,(H,40,45)(H,41,44)
C39H38N4O8690.7411100
121014662

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C39H38N4O8/c1-23-3-11-32(24(2)17-23)43-38(47)29-10-6-27(19-30(29)39(43)48)36(45)41-31(18-25-4-8-28(44)9-5-25)37(46)40-21-33(42-13-15-49-16-14-42)26-7-12-34-35(20-26)51-22-50-34/h3-12,17,19-20,31,33,44H,13-16,18,21-22H2,1-2H3,(H,40,46)(H,41,45)
C39H38N4O8690.7411100
121015237

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C39H38N4O8/c1-23-5-10-27(11-6-23)33(42(3)4)20-40-37(46)32(17-25-7-13-29(14-8-25)51-24(2)44)41-36(45)28-12-15-30-31(19-28)39(48)43(38(30)47)21-26-9-16-34-35(18-26)50-22-49-34/h5-16,18-19,32-33H,17,20-22H2,1-4H3,(H,40,46)(H,41,45)
C39H38N4O8690.7411100
121019921

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C39H38N4O8/c1-24(44)51-29-13-9-26(10-14-29)19-32(37(46)40-22-33(42(2)3)27-12-16-34-35(21-27)50-23-49-34)41-36(45)28-11-15-30-31(20-28)39(48)43(38(30)47)18-17-25-7-5-4-6-8-25/h4-16,20-21,32-33H,17-19,22-23H2,1-3H3,(H,40,46)(H,41,45)
C39H38N4O8690.7411100
121020053

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C39H38N4O8/c1-25(44)51-31-15-7-26(8-16-31)23-34(37(46)40-24-35(42-19-21-50-22-20-42)27-11-17-30(49-2)18-12-27)41-36(45)28-9-13-29(14-10-28)43-38(47)32-5-3-4-6-33(32)39(43)48/h3-18,34-35H,19-24H2,1-2H3,(H,40,46)(H,41,45)
C39H38N4O8690.7411100
121039351

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C39H38N4O8/c1-22-6-14-32(23(2)16-22)43-38(47)29-13-9-27(18-30(29)39(43)48)36(45)41-31(17-25-7-11-28(12-8-25)51-24(3)44)37(46)40-20-33(42(4)5)26-10-15-34-35(19-26)50-21-49-34/h6-16,18-19,31,33H,17,20-21H2,1-5H3,(H,40,46)(H,41,45)
C39H38N4O8690.7411100
121084061

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C39H38N4O8/c1-23-4-3-5-32(24(23)2)43-38(47)29-12-8-27(19-30(29)39(43)48)36(45)41-31(18-25-6-10-28(44)11-7-25)37(46)40-21-33(42-14-16-49-17-15-42)26-9-13-34-35(20-26)51-22-50-34/h3-13,19-20,31,33,44H,14-18,21-22H2,1-2H3,(H,40,46)(H,41,45)
C39H38N4O8690.7411100
121100140

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C39H38N4O8/c44-29-17-14-26(15-18-29)22-32(36(47)41-21-9-3-8-20-40-34(45)27-12-6-2-7-13-27)42-35(46)28-16-19-30-31(24-28)38(49)43(37(30)48)33(39(50)51)23-25-10-4-1-5-11-25/h1-2,4-7,10-19,24,32-33,44H,3,8-9,20-23H2,(H,40,45)(H,41,47)(H,42,46)(H,50,51)
C39H38N4O8690.7411100
121112275

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C39H38N4O8/c1-22-7-6-8-32(23(22)2)43-38(47)29-15-11-27(18-30(29)39(43)48)36(45)41-31(17-25-9-13-28(14-10-25)51-24(3)44)37(46)40-20-33(42(4)5)26-12-16-34-35(19-26)50-21-49-34/h6-16,18-19,31,33H,17,20-21H2,1-5H3,(H,40,46)(H,41,45)
C39H38N4O8690.7411100
12

Advertisement