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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 121 results

Search term: C21H20Cl2N6O3 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4891

InChI=1/C21H20Cl2N6O3/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23/h3-9H,10-11,24H2,1-2H3,(H,25,30)
C21H20Cl2N6O3475.3279515200
10964712
InChI=1/C21H20Cl2N6O3/c1-2-3-9-27-15(12-29-20(31)16(23)14(22)10-24-29)25-18-17(27)19(30)26-21(32)28(18)11-13-7-5-4-6-8-13/h4-8,10H,2-3,9,11-12H2,1H3,(H,26,30,32)
C21H20Cl2N6O3475.32796500
12032978
InChI=1/C21H20Cl2N6O3/c1-2-3-4-13-5-8-15(9-6-13)26-19-18(29(31)32)20(25-12-24-19)27-28-21(30)16-10-7-14(22)11-17(16)23/h5-12H,2-4H2,1H3,(H,28,30)(H2,24,25,26,27)
C21H20Cl2N6O3475.32793200
12037944
InChI=1/C21H20Cl2N6O3/c1-32-18-4-2-17(3-5-18)27-6-8-28(9-7-27)21-19(29(30)31)20(24-13-25-21)26-16-11-14(22)10-15(23)12-16/h2-5,10-13H,6-9H2,1H3,(H,24,25,26)
C21H20Cl2N6O3475.32793200
12039035
InChI=1/C21H20Cl2N6O3/c1-32-18-6-5-15(23)12-17(18)26-20-19(29(30)31)21(25-13-24-20)28-9-7-27(8-10-28)16-4-2-3-14(22)11-16/h2-6,11-13H,7-10H2,1H3,(H,24,25,26)
C21H20Cl2N6O3475.32793200
12039887
InChI=1/C21H20Cl2N6O3/c1-32-16-5-3-15(4-6-16)27-8-10-28(11-9-27)21-19(29(30)31)20(24-13-25-21)26-14-2-7-17(22)18(23)12-14/h2-7,12-13H,8-11H2,1H3,(H,24,25,26)
C21H20Cl2N6O3475.32793200
12045369
InChI=1/C21H20Cl2N6O3/c1-32-16-5-3-15(4-6-16)27-8-10-28(11-9-27)21-19(29(30)31)20(24-13-25-21)26-18-12-14(22)2-7-17(18)23/h2-7,12-13H,8-11H2,1H3,(H,24,25,26)
C21H20Cl2N6O3475.32793200
12045370
InChI=1/C21H20Cl2N6O3/c1-32-15-7-5-14(6-8-15)27-9-11-28(12-10-27)21-19(29(30)31)20(24-13-25-21)26-17-4-2-3-16(22)18(17)23/h2-8,13H,9-12H2,1H3,(H,24,25,26)
C21H20Cl2N6O3475.32793200
12045398
InChI=1/C21H20Cl2N6O3/c1-32-16-5-3-15(4-6-16)27-8-10-28(11-9-27)21-19(29(30)31)20(24-13-25-21)26-18-7-2-14(22)12-17(18)23/h2-7,12-13H,8-11H2,1H3,(H,24,25,26)
C21H20Cl2N6O3475.32793200
12140371

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H20Cl2N6O3/c1-3-31-17-8-12(5-7-16(17)32-10-13-4-6-14(22)9-15(13)23)19-18(20(24)30)11(2)25-21-26-27-28-29(19)21/h4-9,19H,3,10H2,1-2H3,(H2,24,30)(H,25,26,28)
C21H20Cl2N6O3475.32793300
12140373

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H20Cl2N6O3/c1-3-31-17-9-13(5-7-16(17)32-10-12-4-6-14(22)15(23)8-12)19-18(20(24)30)11(2)25-21-26-27-28-29(19)21/h4-9,19H,3,10H2,1-2H3,(H2,24,30)(H,25,26,28)
C21H20Cl2N6O3475.32793200
76719162
InChI=1/C21H20Cl2N6O3/c1-29(2)9-20-27-19(28-32-20)10-31-18-8-16-13(7-17(18)30-3)21(25-11-24-16)26-12-4-5-14(22)15(23)6-12/h4-8,11H,9-10H2,1-3H3,(H,24,25,26)
C21H20Cl2N6O3475.32793300
76728350
InChI=1/C21H20Cl2N6O3/c1-29(2)9-19-27-20(32-28-19)10-31-18-8-16-13(7-17(18)30-3)21(25-11-24-16)26-12-4-5-14(22)15(23)6-12/h4-8,11H,9-10H2,1-3H3,(H,24,25,26)
C21H20Cl2N6O3475.32793300
76773401

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H20Cl2N6O3/c1-11(19-25-8-14(9-26-19)13-3-4-15(22)16(23)7-13)27-20-24-6-5-18(28-20)29-17(12(2)30)10-32-21(29)31/h3-9,11-12,17,30H,10H2,1-2H3,(H,24,27,28)/t11-,12+,17?/m0/s1
C21H20Cl2N6O3475.32793300
76800540

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H20Cl2N6O3/c1-11(19-25-8-13(9-26-19)14-4-3-5-15(22)18(14)23)27-20-24-7-6-17(28-20)29-16(12(2)30)10-32-21(29)31/h3-9,11-12,16,30H,10H2,1-2H3,(H,24,27,28)/t11?,12-,16-/m1/s1
C21H20Cl2N6O3475.32793300
76801719

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H20Cl2N6O3/c1-11(19-25-8-14(9-26-19)13-3-4-15(22)16(23)7-13)27-20-24-6-5-18(28-20)29-17(12(2)30)10-32-21(29)31/h3-9,11-12,17,30H,10H2,1-2H3,(H,24,27,28)/t11-,12-,17-/m1/s1
C21H20Cl2N6O3475.32793300
23118043

Double-bond stereo
InChI=1/C21H20Cl2N6O3/c22-16-9-18-19(10-17(16)23)28(21(26-18)14-4-6-24-7-5-14)12-20(30)27-25-11-13-2-1-3-15(8-13)29(31)32/h1-3,8-11,14,24H,4-7,12H2,(H,27,30)/b25-11+
C21H20Cl2N6O3475.32792200
31119477
InChI=1/C21H20Cl2N6O3/c1-11-7-13(22)8-15(20(31)24-3)18(11)27-21(32)17-9-14(10-26-12(2)30)28-29(17)19-16(23)5-4-6-25-19/h4-9H,10H2,1-3H3,(H,24,31)(H,26,30)(H,27,32)
C21H20Cl2N6O3475.32792200
66842491
InChI=1/C21H20Cl2N6O3/c1-29(2)14-6-4-13(5-7-14)24-18(30)10-9-17-20(32)26-21(28-27-17)25-19(31)12-3-8-15(22)16(23)11-12/h3-8,11H,9-10H2,1-2H3,(H,24,30)(H2,25,26,28,31,32)
C21H20Cl2N6O3475.32792100
66842566
InChI=1/C21H20Cl2N6O3/c1-29(2)14-5-3-4-13(11-14)24-18(30)9-8-17-20(32)26-21(28-27-17)25-19(31)12-6-7-15(22)16(23)10-12/h3-7,10-11H,8-9H2,1-2H3,(H,24,30)(H2,25,26,28,31,32)
C21H20Cl2N6O3475.32792100
12345

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