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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
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Found 84 results

Search term: C36H36N2O8 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4479607

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C36H36N2O8/c1-44-30-21-25(8-13-29(30)41)34-33(36(43)38-18-16-23-5-11-27(40)12-6-23)28-19-24(20-31(45-2)35(28)46-34)7-14-32(42)37-17-15-22-3-9-26(39)10-4-22/h3-14,19-21,33-34,39-41H,15-18H2,1-2H3,(H,37,42)(H,38,43)/b14-7+
C36H36N2O8624.6796181700
30790808

Double-bond stereo
InChI=1/C36H36N2O8/c1-44-32-22-27(7-14-30(32)41)23-34(36(43)38-20-18-25-5-12-29(40)13-6-25)46-31-15-8-26(21-33(31)45-2)9-16-35(42)37-19-17-24-3-10-28(39)11-4-24/h3-16,21-23,39-41H,17-20H2,1-2H3,(H,37,42)(H,38,43)/b16-9+,34-23-
C36H36N2O8624.6796171500
30790810

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H36N2O8/c1-45-31-18-23(7-12-29(31)41)33-27-20-30(42)32(46-2)19-24(27)17-28(35(43)37-15-13-21-3-8-25(39)9-4-21)34(33)36(44)38-16-14-22-5-10-26(40)11-6-22/h3-12,17-20,33-34,39-42H,13-16H2,1-2H3,(H,37,43)(H,38,44)/t33-,34-/m0/s1
C36H36N2O8624.6796171300
4944913

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H36N2O8/c1-44-30-21-25(8-13-29(30)41)34-33(36(43)38-18-16-23-5-11-27(40)12-6-23)28-19-24(20-31(45-2)35(28)46-34)7-14-32(42)37-17-15-22-3-9-26(39)10-4-22/h3-14,19-21,33-34,39-41H,15-18H2,1-2H3,(H,37,42)(H,38,43)/b14-7+/t33-,34+/m1/s1
C36H36N2O8624.6796161656
32697963

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H36N2O8/c1-44-30-21-25(8-13-29(30)41)34-33(36(43)38-18-16-23-5-11-27(40)12-6-23)28-19-24(20-31(45-2)35(28)46-34)7-14-32(42)37-17-15-22-3-9-26(39)10-4-22/h3-14,19-21,33-34,39-41H,15-18H2,1-2H3,(H,37,42)(H,38,43)/b14-7+/t33-,34+/m0/s1
C36H36N2O8624.6796131600
299817

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C36H36N2O8/c1-44-30-21-25(8-13-29(30)41)34-33(36(43)38-18-16-23-5-11-27(40)12-6-23)28-19-24(20-31(45-2)35(28)46-34)7-14-32(42)37-17-15-22-3-9-26(39)10-4-22/h3-14,19-21,33-34,39-41H,15-18H2,1-2H3,(H,37,42)(H,38,43)
C36H36N2O8624.679612900
4481104

Double-bond stereo
InChI=1/C36H36N2O8/c1-45-33-21-25(7-13-31(33)41)19-29(35(43)37-17-15-23-3-9-27(39)10-4-23)30(20-26-8-14-32(42)34(22-26)46-2)36(44)38-18-16-24-5-11-28(40)12-6-24/h3-14,19-22,39-42H,15-18H2,1-2H3,(H,37,43)(H,38,44)/b29-19-,30-20-
C36H36N2O8624.67969910
57256945

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H36N2O8/c1-44-30-21-25(8-13-29(30)41)34-33(36(43)38-18-16-23-5-11-27(40)12-6-23)28-19-24(20-31(45-2)35(28)46-34)7-14-32(42)37-17-15-22-3-9-26(39)10-4-22/h3-14,19-21,33-34,39-41H,15-18H2,1-2H3,(H,37,42)(H,38,43)/b14-7+/t33-,34-/m0/s1
C36H36N2O8624.67968700
552948

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H36N2O8/c1-45-31-20-24(7-13-29(31)41)19-28-33(35(43)37-17-15-22-3-9-26(39)10-4-22)34(25-8-14-30(42)32(21-25)46-2)38(36(28)44)18-16-23-5-11-27(40)12-6-23/h3-14,19-21,33-34,39-42H,15-18H2,1-2H3,(H,37,43)/b28-19-/t33-,34+/m0/s1
C36H36N2O8624.67967630
8614340

Double-bond stereo
InChI=1/C36H36N2O8/c1-45-33-21-25(7-13-31(33)41)19-29(35(43)37-17-15-23-3-9-27(39)10-4-23)30(20-26-8-14-32(42)34(22-26)46-2)36(44)38-18-16-24-5-11-28(40)12-6-24/h3-14,19-22,39-42H,15-18H2,1-2H3,(H,37,43)(H,38,44)/b29-19+,30-20+
C36H36N2O8624.67967600
3410958

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C36H36N2O8/c1-5-43-33(39)28(27(24-18-12-9-13-19-24)25-20-14-10-15-21-25)32(36(42)46-8-4)38-31(26-22-16-11-17-23-26)29(34(40)44-6-2)30(37-38)35(41)45-7-3/h9-23,32H,5-8H2,1-4H3
C36H36N2O8624.6796399999986400
57576895

Double-bond stereo
InChI=1/C36H36N2O8/c1-44-32-22-27(7-14-30(32)41)23-34(36(43)38-20-18-25-5-12-29(40)13-6-25)46-31-15-8-26(21-33(31)45-2)9-16-35(42)37-19-17-24-3-10-28(39)11-4-24/h3-16,21-23,39-41H,17-20H2,1-2H3,(H,37,42)(H,38,43)
C36H36N2O8624.67965500
62995463

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H36N2O8/c1-44-30-21-25(8-13-29(30)41)34-33(36(43)38-18-16-23-5-11-27(40)12-6-23)28-19-24(20-31(45-2)35(28)46-34)7-14-32(42)37-17-15-22-3-9-26(39)10-4-22/h3-14,19-21,33-34,39-41H,15-18H2,1-2H3,(H,37,42)(H,38,43)/b14-7-/t33-,34+/m0/s1
C36H36N2O8624.67964300
4977304

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H36N2O8/c1-19(2)27(13-15-29(39)40)37-35(45)25-17-21-9-5-7-11-23(21)31(33(25)43)32-24-12-8-6-10-22(24)18-26(34(32)44)36(46)38-28(20(3)4)14-16-30(41)42/h5-20,27-28,43-44H,1-4H3,(H,37,45)(H,38,46)(H,39,40)(H,41,42)/b15-13+,16-14+/t27-,28-/m1/s1
C36H36N2O8624.67964400
24686303

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H36N2O8/c1-45-31-18-23(7-12-29(31)41)33-27-20-30(42)32(46-2)19-24(27)17-28(35(43)37-15-13-21-3-8-25(39)9-4-21)34(33)36(44)38-16-14-22-5-10-26(40)11-6-22/h3-12,17-20,33-34,39-42H,13-16H2,1-2H3,(H,37,43)(H,38,44)/t33-,34-/m1/s1
C36H36N2O8624.67964400
9687675

Double-bond stereo
InChI=1/C36H36N2O8/c1-45-32-21-25(7-13-31(32)41)20-30(36(44)38-18-16-24-5-11-28(40)12-6-24)29-19-26(22-33(46-2)35(29)43)8-14-34(42)37-17-15-23-3-9-27(39)10-4-23/h3-14,19-22,39-41,43H,15-18H2,1-2H3,(H,37,42)(H,38,44)/b14-8+,30-20+
C36H36N2O8624.67963200
23146594
InChI=1/C36H36N2O8/c1-9-23(39)45-35-27(17(7)11-19-25(15(3)4)33(43)31(41)21(13-37)29(19)35)28-18(8)12-20-26(16(5)6)34(44)32(42)22(14-38)30(20)36(28)46-24(40)10-2/h11-12,15-16,41-44H,9-10H2,1-8H3
C36H36N2O8624.67963300
4782012

Double-bond stereo
InChI=1/C36H36N2O8/c1-41-29-15-7-23(19-33(29)45-5)9-17-35(39)37-27-13-11-25(21-31(27)43-3)26-12-14-28(32(22-26)44-4)38-36(40)18-10-24-8-16-30(42-2)34(20-24)46-6/h7-22H,1-6H3,(H,37,39)(H,38,40)/b17-9+,18-10+
C36H36N2O8624.67963300
72388415

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C36H36N2O8/c1-45-31-18-23(7-12-29(31)41)33-27-20-30(42)32(46-2)19-24(27)17-28(35(43)37-15-13-21-3-8-25(39)9-4-21)34(33)36(44)38-16-14-22-5-10-26(40)11-6-22/h3-12,17-20,33-34,39-42H,13-16H2,1-2H3,(H,37,43)(H,38,44)
C36H36N2O8624.67963300
103748914

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C36H36N2O8/c1-44-30-21-25(8-13-29(30)39)34(41)33-28-19-24(20-31(45-2)35(28)42)7-14-32(40)37-17-15-22-3-9-26(10-4-22)46-27-11-5-23(6-12-27)16-18-38-36(33)43/h3-14,19-21,33-34,39,41-42H,15-18H2,1-2H3,(H,37,40)(H,38,43)/b14-7+/t33?,34-/m1/s1
C36H36N2O8624.67963200
12345

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