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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 203 results

Search term: C20H17ClF3N3O4 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2222953

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H17ClF3N3O4/c21-14-4-3-12(10-13(14)20(22,23)24)27-17(28)11-15(18(27)29)25-5-7-26(8-6-25)19(30)16-2-1-9-31-16/h1-4,9-10,15H,5-8,11H2
C20H17ClF3N3O4455.8148896231800
3054441

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H17ClF3N3O4/c21-15-6-1-12(20(22,23)24)8-16(15)26-17(28)10-31-14-4-2-13(3-5-14)27-9-11(19(25)30)7-18(27)29/h1-6,8,11H,7,9-10H2,(H2,25,30)(H,26,28)
C20H17ClF3N3O4455.8148896211100
10631476
InChI=1/C20H17ClF3N3O4/c21-13-9-15(24)14(23)8-12(13)18(28)26-20(31)25-16-7-11(22)1-2-17(16)27-5-3-10(4-6-27)19(29)30/h1-2,7-10H,3-6H2,(H,29,30)(H2,25,26,28,31)
C20H17ClF3N3O4455.8149161700
1497651
InChI=1/C20H17ClF3N3O4/c1-29-15-6-3-11(9-16(15)30-2)19-26-18(31-27-19)8-7-17(28)25-14-10-12(20(22,23)24)4-5-13(14)21/h3-6,9-10H,7-8H2,1-2H3,(H,25,28)
C20H17ClF3N3O4455.8149151300
3215309

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H17ClF3N3O4/c21-16-6-1-12(8-15(16)20(22,23)24)26-17(28)10-31-14-4-2-13(3-5-14)27-9-11(19(25)30)7-18(27)29/h1-6,8,11H,7,9-10H2,(H2,25,30)(H,26,28)
C20H17ClF3N3O4455.8149151100
1095750
InChI=1/C20H17ClF3N3O4/c21-17-6-3-14(11-16(17)20(22,23)24)25-18(28)12-7-9-26(10-8-12)19(29)13-1-4-15(5-2-13)27(30)31/h1-6,11-12H,7-10H2,(H,25,28)
C20H17ClF3N3O4455.8149131000
11002974
InChI=1/C20H17ClF3N3O4/c1-11-18(12(2)31-26-11)19(29)27(9-14-4-3-7-30-14)10-17(28)25-13-5-6-16(21)15(8-13)20(22,23)24/h3-8H,9-10H2,1-2H3,(H,25,28)
C20H17ClF3N3O4455.814911900
27424047
InChI=1/C20H17ClF3N3O4/c21-12-1-3-13(4-2-12)29-6-5-25-18(28)11-27-15-10-17-16(30-7-8-31-17)9-14(15)26-19(27)20(22,23)24/h1-4,9-10H,5-8,11H2,(H,25,28)
C20H17ClF3N3O4455.814911900
22833988

Double-bond stereo
InChI=1/C20H17ClF3N3O4/c1-2-26(12-18(28)25-16-6-4-3-5-14(16)20(22,23)24)19(29)10-8-13-7-9-15(21)17(11-13)27(30)31/h3-11H,2,12H2,1H3,(H,25,28)/b10-8+
C20H17ClF3N3O4455.8149101000
21693317
InChI=1/C20H17ClF3N3O4/c1-26(9-17(28)25-12-6-7-14(21)13(8-12)20(22,23)24)18(29)10-27-15-4-2-3-5-16(15)31-11-19(27)30/h2-8H,9-11H2,1H3,(H,25,28)
C20H17ClF3N3O4455.81498700
21713023
InChI=1/C20H17ClF3N3O4/c1-26(11-17(28)25-12-6-7-14(21)13(10-12)20(22,23)24)18(29)8-9-27-15-4-2-3-5-16(15)31-19(27)30/h2-7,10H,8-9,11H2,1H3,(H,25,28)
C20H17ClF3N3O4455.81498600
21738172
InChI=1/C20H17ClF3N3O4/c1-26(11-17(28)25-14-5-3-2-4-13(14)20(22,23)24)18(29)8-9-27-15-7-6-12(21)10-16(15)31-19(27)30/h2-7,10H,8-9,11H2,1H3,(H,25,28)
C20H17ClF3N3O4455.81498600
30578740
InChI=1/C20H17ClF3N3O4/c21-15-8-14(20(22,23)24)9-25-18(15)26-16(28)11-31-19(30)13-4-1-3-12(7-13)10-27-6-2-5-17(27)29/h1,3-4,7-9H,2,5-6,10-11H2,(H,25,26,28)
C20H17ClF3N3O4455.81498600
30226326

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H17ClF3N3O4/c1-19(13-4-8-15(9-5-13)31-20(22,23)24)17(29)27(18(30)26-19)11-16(28)25-10-12-2-6-14(21)7-3-12/h2-9H,10-11H2,1H3,(H,25,28)(H,26,30)
C20H17ClF3N3O4455.81497700
9801411

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H17ClF3N3O4/c1-10-7-12(4-6-16(28)29)3-5-14(10)17-26-18(31-27-17)13-8-15(21)19(25-9-13)30-11(2)20(22,23)24/h3,5,7-9,11H,4,6H2,1-2H3,(H,28,29)
C20H17ClF3N3O4455.81496400
11848952

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H17ClF3N3O4/c1-19(11-3-6-13(31-2)7-4-11)17(29)27(18(30)26-19)10-16(28)25-12-5-8-15(21)14(9-12)20(22,23)24/h3-9H,10H2,1-2H3,(H,25,28)(H,26,30)
C20H17ClF3N3O4455.81495300
4816259

Double-bond stereo
InChI=1/C20H17ClF3N3O4/c21-15-4-1-13(11-18(15)27(29)30)2-6-19(28)25-16-12-14(20(22,23)24)3-5-17(16)26-7-9-31-10-8-26/h1-6,11-12H,7-10H2,(H,25,28)/b6-2+
C20H17ClF3N3O4455.81495400
31292218

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H17ClF3N3O4/c1-2-31-18(29)16-14(10-27-9-12(20(22,23)24)5-8-15(27)28)25-19(30)26-17(16)11-3-6-13(21)7-4-11/h3-9,17H,2,10H2,1H3,(H2,25,26,30)
C20H17ClF3N3O4455.81494400
81413353
InChI=1/C18H15ClF3N3.C2H2O4/c1-25-16(13-4-8-15(19)9-5-13)11-24-17(25)23-10-12-2-6-14(7-3-12)18(20,21)22;3-1(4)2(5)6/h2-9,11H,10H2,1H3,(H,23,24);(H,3,4)(H,5,6)
C20H17ClF3N3O4455.81494300
33553032

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H17ClF3N3O4/c21-16-7-6-14(27(30)31)10-15(16)19(29)25-17(11-26-8-2-5-18(26)28)12-3-1-4-13(9-12)20(22,23)24/h1,3-4,6-7,9-10,17H,2,5,8,11H2,(H,25,29)
C20H17ClF3N3O4455.81493300
12345

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