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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 61 results

Search term: C20H22N8O6 (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4588516

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H22N8O6/c1-28(8-12-18(32)26-16-14(23-12)15(21)25-20(22)27-16)10-4-2-9(3-5-10)17(31)24-11(19(33)34)6-7-13(29)30/h2-5,11H,6-8H2,1H3,(H,24,31)(H,29,30)(H,33,34)(H5,21,22,25,26,27,32)/t11-/m0/s1
C20H22N8O6470.4387303000
4532295

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H22N8O6/c1-28(8-12-18(32)26-16-14(23-12)15(21)25-20(22)27-16)10-4-2-9(3-5-10)17(31)24-11(19(33)34)6-7-13(29)30/h2-5,11H,6-8H2,1H3,(H,24,31)(H,29,30)(H,33,34)(H5,21,22,25,26,27,32)
C20H22N8O6470.43872816100
2311831

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H22N8O6/c1-34-13-6-9(2-3-11(13)18(31)26-12(19(32)33)4-5-14(29)30)23-7-10-8-24-17-15(25-10)16(21)27-20(22)28-17/h2-3,6,8,12,23H,4-5,7H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,21,22,24,27,28)/t12-/m0/s1
C20H22N8O6470.4386810700
2311832

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H22N8O6/c1-34-13-6-9(18(31)26-12(19(32)33)4-5-14(29)30)2-3-11(13)23-7-10-8-24-17-15(25-10)16(21)27-20(22)28-17/h2-3,6,8,12,23H,4-5,7H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,21,22,24,27,28)/t12-/m0/s1
C20H22N8O6470.438685300
2327879

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H22N8O6/c1-28(8-9-7-23-17-15(24-9)16(21)26-20(22)27-17)10-3-4-11(13(5-10)34-2)18(31)25-12(19(32)33)6-14(29)30/h3-5,7,12H,6,8H2,1-2H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t12-/m0/s1
C20H22N8O6470.438685300
2327880

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H22N8O6/c1-28(8-10-7-23-17-15(24-10)16(21)26-20(22)27-17)12-4-3-9(5-13(12)34-2)18(31)25-11(19(32)33)6-14(29)30/h3-5,7,11H,6,8H2,1-2H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t11-/m0/s1
C20H22N8O6470.438685300
57468011

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H22N8O6/c1-34-13-6-9(18(31)26-12(19(32)33)4-5-14(29)30)2-3-11(13)23-7-10-8-24-17-15(25-10)16(21)27-20(22)28-17/h2-3,6,8,12,23H,4-5,7H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,21,22,24,27,28)
C20H22N8O6470.43874300
64882769

Charge
InChI=1/2C8H9N4.C4H6O6/c2*9-8(10)12-11-6-7-4-2-1-3-5-7;5-1(3(7)8)2(6)4(9)10/h2*1-6H,(H3,9,10);1-2,5-6H,(H,7,8)(H,9,10)/q2*+1;/p-2
C20H22N8O6470.43873200
23139873

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H22N8O6/c21-19-25-15-14(17(32)26-19)28-11(7-23-15)8-27(20(28)22)10-3-1-9(2-4-10)16(31)24-12(18(33)34)5-6-13(29)30/h1-4,11-12,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)
C20H22N8O6470.43873400
23164722

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H22N8O6/c1-28(8-10-7-23-17-15(24-10)16(21)26-20(22)27-17)11-4-2-9(3-5-11)18(32)25-14(19(33)34)12(29)6-13(30)31/h2-5,7,12,14,29H,6,8H2,1H3,(H,25,32)(H,30,31)(H,33,34)(H4,21,22,23,26,27)
C20H22N8O6470.43873300
8181992
InChI=1/C20H22N8O6/c1-26-9-11(7-13(26)18(29)23-6-5-16(21)22)24-19(30)14-8-12(10-27(14)2)25-20(31)15-3-4-17(34-15)28(32)33/h3-4,7-10H,5-6H2,1-2H3,(H3,21,22)(H,23,29)(H,24,30)(H,25,31)
C20H22N8O6470.43873300
380571

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H22N8O6/c21-19-25-15-14(17(32)26-19)28-11(7-23-15)8-27(20(28)22)10-3-1-9(2-4-10)16(31)24-12(18(33)34)5-6-13(29)30/h1-4,11-12,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/b22-20+
C20H22N8O6470.43873100
64883961

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H22N8O6/c1-34-13-6-9(2-3-11(13)18(31)26-12(19(32)33)4-5-14(29)30)23-7-10-8-24-17-15(25-10)16(21)27-20(22)28-17/h2-3,6,8,12,23H,4-5,7H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,21,22,24,27,28)
C20H22N8O6470.43873200
32820948

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H22N8O6/c1-28(8-12-18(32)26-16-14(23-12)15(21)25-20(22)27-16)10-4-2-9(3-5-10)17(31)24-11(19(33)34)6-7-13(29)30/h2-5,11H,6-8H2,1H3,(H,24,31)(H,29,30)(H,33,34)(H5,21,22,25,26,27,32)/t11-/m1/s1
C20H22N8O6470.43872300
8655234

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C20H22N8O6/c21-20-25-16-15(18(32)26-20)27-9-23-28(8-12(27)7-22-16)11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,22,25,26,32)/t12?,13-/m0/s1
C20H22N8O6470.43872100
10024632

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H22N8O6/c21-27-23-8-12-13(6-7-29)34-19(16(12)31)28-10-22-15-17(28)25-20(26-18(15)32)24-14(30)9-33-11-4-2-1-3-5-11/h1-5,10,12-13,16,19,29,31H,6-9H2,(H2,24,25,26,30,32)/t12-,13-,16-,19-/m1/s1
C20H22N8O6470.43872100
64883124

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H22N8O6/c1-28(8-10-7-23-17-15(24-10)16(21)26-20(22)27-17)12-4-3-9(5-13(12)34-2)18(31)25-11(19(32)33)6-14(29)30/h3-5,7,11H,6,8H2,1-2H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)
C20H22N8O6470.43872100
64883125

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H22N8O6/c1-28(8-9-7-23-17-15(24-9)16(21)26-20(22)27-17)10-3-4-11(13(5-10)34-2)18(31)25-12(19(32)33)6-14(29)30/h3-5,7,12H,6,8H2,1-2H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)
C20H22N8O6470.43872100
26330793

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H24N8O6/c21-9-28-12(8-24-16-15(28)18(32)27-20(22)26-16)7-23-11-3-1-10(2-4-11)17(31)25-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,21,23H,5-8H2,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27,32)/p-2/t12-,13-/m0/s1
C20H22N8O6470.43981100
27444375

Charge

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H24N8O6/c21-9-28-12(8-24-16-15(28)18(32)27-20(22)26-16)7-23-11-3-1-10(2-4-11)17(31)25-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,21,23H,5-8H2,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27,32)/p-2
C20H22N8O6470.43981100
1234

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