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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 48 results

Search term: C36H36O18 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8344872

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C36H36O18/c1-14-26(43)30(47)34(54-35-31(48)29(46)27(44)23(52-35)13-49-24(42)9-4-15-2-6-17(37)7-3-15)36(50-14)53-33-28(45)25-21(41)11-18(38)12-22(25)51-32(33)16-5-8-19(39)20(40)10-16/h2-12,14,23,26-27,29-31,34-41,43-44,46-48H,13H2,1H3/b9-4+/t14-,23+,26-,27+,29-,30+,31+,34+,35-,36-/m0/s1
C36H36O18756.6602211900
26331280

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C36H36O18/c37-13-25-28(43)30(45)32(47)35(53-25)51-23-11-18(39)10-22-19(23)12-24(34(50-22)16-3-5-17(38)6-4-16)52-36-33(48)31(46)29(44)26(54-36)14-49-27(42)8-2-15-1-7-20(40)21(41)9-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1
C36H36O18756.66026700
29814242

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C36H36O18/c1-14-26(43)30(47)34(54-35-31(48)29(46)27(44)23(52-35)13-49-24(42)9-4-15-2-6-17(37)7-3-15)36(50-14)53-33-28(45)25-21(41)11-18(38)12-22(25)51-32(33)16-5-8-19(39)20(40)10-16/h2-12,14,23,26-27,29-31,34-41,43-44,46-48H,13H2,1H3/b9-4+/t14-,23+,26-,27+,29-,30+,31+,34?,35-,36-/m0/s1
C36H36O18756.66025300
22912914

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C36H36O18/c37-13-22-26(43)29(46)31(48)35(51-22)49-19-11-20(41)25-21(12-19)50-32(16-4-8-18(40)9-5-16)33(28(25)45)54-36-34(30(47)27(44)23(14-38)52-36)53-24(42)10-3-15-1-6-17(39)7-2-15/h1-12,22-23,26-27,29-31,34-41,43-44,46-48H,13-14H2/b10-3+/t22-,23-,26-,27-,29+,30+,31-,34-,35-,36?/m1/s1
C36H36O18756.66025200
32698356

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C36H36O18/c1-15(37)46-14-29-32(50-19(5)41)35(51-20(6)42)36(52-21(7)43)34(54-29)31-28(49-18(4)40)13-27(48-17(3)39)30-23(44)12-25(53-33(30)31)22-9-10-24(47-16(2)38)26(11-22)45-8/h9-13,29,32,34-36H,14H2,1-8H3/t29-,32-,34+,35+,36+/m1/s1
C36H36O18756.66024600
4947007

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C36H36O18/c1-14-26(43)30(47)34(54-35-31(48)29(46)27(44)23(52-35)13-49-24(42)9-4-15-2-6-17(37)7-3-15)36(50-14)53-33-28(45)25-21(41)11-18(38)12-22(25)51-32(33)16-5-8-19(39)20(40)10-16/h2-12,14,23,26-27,29-31,34-41,43-44,46-48H,13H2,1H3/b9-4+/t14-,23+,26-,27+,29-,30+,31+,34+,35-,36?/m0/s1
C36H36O18756.66024300
8298702

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C36H36O18/c1-14-32(53-36-30(47)28(45)26(43)23(52-36)13-49-24(42)9-4-15-2-6-17(37)7-3-15)29(46)31(48)35(50-14)54-34-27(44)25-21(41)11-18(38)12-22(25)51-33(34)16-5-8-19(39)20(40)10-16/h2-12,14,23,26,28-32,35-41,43,45-48H,13H2,1H3/b9-4+/t14-,23+,26+,28-,29-,30+,31+,32-,35-,36-/m0/s1
C36H36O18756.66023200
58829733

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C36H36O18/c37-13-25-28(43)30(45)32(47)35(53-25)51-23-11-18(39)10-22-19(23)12-24(34(50-22)16-4-7-20(40)21(41)9-16)52-36-33(48)31(46)29(44)26(54-36)14-49-27(42)8-3-15-1-5-17(38)6-2-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1
C36H36O18756.66023300
28497663

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C36H36O18/c1-14-26(43)29(46)31(48)35(50-14)49-13-23-27(44)30(47)34(53-24(42)9-4-15-2-6-17(37)7-3-15)36(52-23)54-33-28(45)25-21(41)11-18(38)12-22(25)51-32(33)16-5-8-19(39)20(40)10-16/h2-12,14,23,26-27,29-31,34-41,43-44,46-48H,13H2,1H3/b9-4+/t14-,23+,26-,27+,29+,30-,31+,34+,35+,36-/m0/s1
C36H36O18756.66023300
23339499

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C36H36O18/c1-14-26(43)28(45)30(47)35(50-14)49-13-23-33(53-24(42)9-4-15-2-6-17(37)7-3-15)29(46)31(48)36(52-23)54-34-27(44)25-21(41)11-18(38)12-22(25)51-32(34)16-5-8-19(39)20(40)10-16/h2-12,14,23,26,28-31,33,35-41,43,45-48H,13H2,1H3/b9-4+/t14-,23+,26-,28+,29+,30+,31+,33-,35+,36-/m0/s1
C36H36O18756.66023300
24664386

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C36H36O18/c1-48-25-8-16(2-5-20(25)39)3-7-28(43)49-14-36(47)15-50-35(33(36)46)54-32-31(45)30(44)27(13-37)53-34(32)51-18-10-22(41)29-23(42)12-24(52-26(29)11-18)17-4-6-19(38)21(40)9-17/h2-12,27,30-35,37-41,44-47H,13-15H2,1H3/b7-3+/t27-,30-,31+,32-,33+,34-,35+,36-/m1/s1
C36H36O18756.66022200
28646357

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C36H36O18/c37-13-22-26(43)29(46)31(48)35(51-22)49-19-8-4-16(5-9-19)32-33(28(45)25-20(41)11-18(40)12-21(25)50-32)54-36-34(30(47)27(44)23(14-38)52-36)53-24(42)10-3-15-1-6-17(39)7-2-15/h1-12,22-23,26-27,29-31,34-41,43-44,46-48H,13-14H2/b10-3+/t22-,23-,26-,27-,29+,30+,31-,34-,35-,36+/m1/s1
C36H36O18756.66022200
28647667

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C36H36O18/c37-13-22-26(43)29(46)31(48)35(51-22)49-19-11-20(41)25-21(12-19)50-32(16-4-8-18(40)9-5-16)33(28(25)45)54-36-34(30(47)27(44)23(14-38)52-36)53-24(42)10-3-15-1-6-17(39)7-2-15/h1-12,22-23,26-27,29-31,34-41,43-44,46-48H,13-14H2/b10-3+/t22-,23-,26-,27-,29+,30+,31-,34-,35-,36+/m1/s1
C36H36O18756.66022200
58829835

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C36H36O18/c37-13-25-28(43)30(45)32(47)36(53-25)52-24-12-19-22(50-34(24)16-3-5-17(38)6-4-16)10-18(39)11-23(19)51-35-33(48)31(46)29(44)26(54-35)14-49-27(42)8-2-15-1-7-20(40)21(41)9-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/t25-,26-,28-,29-,30+,31+,32-,33-,35+,36-/m1/s1
C36H36O18756.66022200
150069
InChI=1/C9H4O5.C8H6O4.C8H4O3.C6H10O4.C5H12O2/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12;9-7(10)5-2-1-3-6(4-5)8(11)12;9-7-5-3-1-2-4-6(5)8(10)11-7;7-5(8)3-1-2-4-6(9)10;1-5(2,3-6)4-7/h1-3H,(H,10,11);1-4H,(H,9,10)(H,11,12);1-4H;1-4H2,(H,7,8)(H,9,10);6-7H,3-4H2,1-2H3
C36H36O18756.6602399999992200
2339387

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C36H36O18/c1-9-4-15-21(28(44)18(9)34(48)49)20-13(7-14-22(29(20)45)25(41)12-5-11(50-3)6-16(37)19(12)24(14)40)26(42)32(15)53-36-31(47)33(23(39)10(2)52-36)54-35-30(46)27(43)17(38)8-51-35/h4-7,10,17,23,26-27,30-33,35-39,42-47H,8H2,1-3H3,(H,48,49)
C36H36O18756.6602399999992200
8570764

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C36H36O18/c1-9-4-15-21(28(44)18(9)34(48)49)20-13(7-14-22(29(20)45)25(41)12-5-11(50-3)6-16(37)19(12)24(14)40)26(42)32(15)53-36-31(47)33(23(39)10(2)52-36)54-35-30(46)27(43)17(38)8-51-35/h4-7,10,17,23,26-27,30-33,35-39,42-47H,8H2,1-3H3,(H,48,49)/t10-,17-,23+,26+,27+,30-,31-,32+,33+,35+,36+/m1/s1
C36H36O18756.66022100
9403067

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C36H36O18/c37-13-22-26(44)29(47)30(48)35(50-22)53-32-27(45)23(14-38)51-36(34(32)52-24(43)10-3-15-1-6-17(39)7-2-15)54-33-28(46)25-20(42)11-19(41)12-21(25)49-31(33)16-4-8-18(40)9-5-16/h1-12,22-23,26-27,29-30,32,34-42,44-45,47-48H,13-14H2/b10-3+/t22-,23-,26-,27-,29+,30-,32+,34-,35+,36+/m1/s1
C36H36O18756.66022100
10142467

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C36H36O18/c37-13-22-26(42)29(45)31(47)35(52-22)50-19-11-20(40)25-21(12-19)51-33(16-4-8-18(39)9-5-16)34(28(25)44)54-36-32(48)30(46)27(43)23(53-36)14-49-24(41)10-3-15-1-6-17(38)7-2-15/h1-12,22-23,26-27,29-32,35-40,42-43,45-48H,13-14H2/b10-3+/t22-,23-,26-,27-,29-,30-,31-,32-,35-,36+/m1/s1
C36H36O18756.66022200
10186007

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C36H36O18/c1-14-26(43)29(46)30(47)35(50-14)49-13-23-27(44)33(53-24(42)9-4-15-2-6-17(37)7-3-15)31(48)36(52-23)54-34-28(45)25-21(41)11-18(38)12-22(25)51-32(34)16-5-8-19(39)20(40)10-16/h2-12,14,23,26-27,29-31,33,35-41,43-44,46-48H,13H2,1H3/b9-4+/t14-,23+,26-,27-,29+,30+,31+,33-,35+,36-/m0/s1
C36H36O18756.66022200
123

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