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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 74 results

Search term: C26H22ClF3N2O3 (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
82865

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1
C26H22ClF3N2O3502.91276572331
45805

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3
C26H22ClF3N2O3502.91275311710
160658

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m0/s1
C26H22ClF3N2O3502.9127113500
3444294

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C26H22ClF3N2O3/c1-25(2,3)22(33)21-19-18(20-15-7-5-4-6-13(15)10-11-31(20)21)23(34)32(24(19)35)14-8-9-17(27)16(12-14)26(28,29)30/h4-12,18-21H,1-3H3
C26H22ClF3N2O3502.91268967400
21817235

Double-bond stereo
InChI=1/C26H22ClF3N2O3/c27-20-9-7-17(8-10-20)24(33)31-22(25(34)32-13-2-1-3-14-32)16-21-11-12-23(35-21)18-5-4-6-19(15-18)26(28,29)30/h4-12,15-16H,1-3,13-14H2,(H,31,33)/b22-16+
C26H22ClF3N2O3502.91277400
22873765

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C26H22ClF3N2O3/c1-25(2,3)22(33)21-19-18(20-15-7-5-4-6-13(15)10-11-31(20)21)23(34)32(24(19)35)14-8-9-17(27)16(12-14)26(28,29)30/h4-12,18-21H,1-3H3/t18-,19+,20?,21-/m0/s1
C26H22ClF3N2O3502.91277600
26377456

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C26H22ClF3N2O3/c1-15(17-4-6-18(7-5-17)25(34)35)31-24(33)22-13-21(27)12-19-10-11-32(23(19)22)14-16-2-8-20(9-3-16)26(28,29)30/h2-9,12-13,15H,10-11,14H2,1H3,(H,31,33)(H,34,35)/t15-/m0/s1
C26H22ClF3N2O3502.91273300
59887400

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C26H22ClF3N2O3/c1-31(2)17-9-7-15(8-10-17)23-22(16-5-4-6-19(13-16)35-3)24(33)25(34)32(23)18-11-12-21(27)20(14-18)26(28,29)30/h4-14,23,33H,1-3H3
C26H22ClF3N2O3502.91273200
59893070

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C26H22ClF3N2O3/c1-31(2)17-8-4-16(5-9-17)23-22(15-6-11-19(35-3)12-7-15)24(33)25(34)32(23)18-10-13-21(27)20(14-18)26(28,29)30/h4-14,23,33H,1-3H3
C26H22ClF3N2O3502.91273200
60003251

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C26H22ClF3N2O3/c1-4-35-20-12-7-15(13-17(20)27)21-24(14-5-8-16(9-6-14)31(2)3)32(26(34)25(21)33)19-11-10-18(28)22(29)23(19)30/h5-13,24,33H,4H2,1-3H3
C26H22ClF3N2O3502.91273200
67293542

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C26H22ClF3N2O3/c1-16-6-8-18(9-7-16)10-13-24(33)31-20-4-3-5-21(15-20)35-17(2)25(34)32-23-14-19(26(28,29)30)11-12-22(23)27/h3-15,17H,1-2H3,(H,31,33)(H,32,34)/b13-10+
C26H22ClF3N2O3502.91272100
76724428

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C26H22ClF3N2O3/c1-4-25(34,19-13-32(14-19)15(2)33)18-9-10-22-20(12-18)23(27)21(24(31-22)35-3)11-16-5-7-17(8-6-16)26(28,29)30/h1,5-10,12,19,34H,11,13-14H2,2-3H3
C26H22ClF3N2O3502.91272200
34996330

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23-,24-/m0/s1
C26H22ClF3N2O3502.91272200
34996331

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23-,24+/m1/s1
C26H22ClF3N2O3502.91272200
121234130

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C26H22ClF3N2O3/c27-18-2-1-3-20(29)23(18)26(35)31-22(12-14-4-9-17(33)10-5-14)25(34)32-24(15-6-7-15)16-8-11-19(28)21(30)13-16/h1-5,8-11,13,15,22,24,33H,6-7,12H2,(H,31,35)(H,32,34)
C26H22ClF3N2O3502.91271100
122281530

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C26H22ClF3N2O3/c27-17-7-4-8-19(15-17)35-18-11-13-32(14-12-18)26(34)24(16-5-2-1-3-6-16)31-25(33)20-9-10-21(28)23(30)22(20)29/h1-10,15,18,24H,11-14H2,(H,31,33)
C26H22ClF3N2O3502.91271100
122281750

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C26H22ClF3N2O3/c27-17-6-8-18(9-7-17)35-19-12-14-32(15-13-19)26(34)24(16-4-2-1-3-5-16)31-25(33)20-10-11-21(28)23(30)22(20)29/h1-11,19,24H,12-15H2,(H,31,33)
C26H22ClF3N2O3502.91271100
122284933

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C26H22ClF3N2O3/c27-18-8-4-7-17(14-18)22-15-32(11-12-35-22)26(34)21(13-16-5-2-1-3-6-16)31-25(33)19-9-10-20(28)24(30)23(19)29/h1-10,14,21-22H,11-13,15H2,(H,31,33)
C26H22ClF3N2O3502.91271100
122285154

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C26H22ClF3N2O3/c27-18-8-6-17(7-9-18)22-15-32(12-13-35-22)26(34)21(14-16-4-2-1-3-5-16)31-25(33)19-10-11-20(28)24(30)23(19)29/h1-11,21-22H,12-15H2,(H,31,33)
C26H22ClF3N2O3502.91271100
123129723
InChI=1/C26H22ClF3N2O3/c27-20-9-4-17(5-10-20)6-13-24(33)32-15-23(16-32)35-22-11-7-18(8-12-22)25(34)31-21-3-1-2-19(14-21)26(28,29)30/h1-5,7-12,14,23H,6,13,15-16H2,(H,31,34)
C26H22ClF3N2O3502.91271100
1234

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