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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
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Found 691 results

Search term: C25H22FN3O3S (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2166491

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H22FN3O3S/c1-32-21-13-7-17(8-14-21)16-28-22(15-23(30)27-19-11-9-18(26)10-12-19)24(31)29(25(28)33)20-5-3-2-4-6-20/h2-14,22H,15-16H2,1H3,(H,27,30)
C25H22FN3O3S463.5238832251600
2210234

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H22FN3O3S/c1-32-21-13-7-17(8-14-21)16-28-22(15-23(30)27-19-5-3-2-4-6-19)24(31)29(25(28)33)20-11-9-18(26)10-12-20/h2-14,22H,15-16H2,1H3,(H,27,30)
C25H22FN3O3S463.5238832241600
2969893

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H22FN3O3S/c1-32-21-13-7-17(8-14-21)16-29-23(30)15-22(24(31)27-20-11-9-18(26)10-12-20)33-25(29)28-19-5-3-2-4-6-19/h2-14,22H,15-16H2,1H3,(H,27,31)/b28-25-
C25H22FN3O3S463.5238832221300
2998467

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H22FN3O3S/c1-32-19-13-11-18(12-14-19)27-25-29(16-17-7-3-2-4-8-17)23(30)15-22(33-25)24(31)28-21-10-6-5-9-20(21)26/h2-14,22H,15-16H2,1H3,(H,28,31)/b27-25-
C25H22FN3O3S463.5238832201300
1068571
InChI=1/C25H22FN3O3S/c1-3-32-19-12-10-18(11-13-19)29-24(31)20-6-4-5-7-22(20)28-25(29)33-15-23(30)27-17-9-8-16(2)21(26)14-17/h4-14H,3,15H2,1-2H3,(H,27,30)
C25H22FN3O3S463.5239201100
2218158

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H22FN3O3S/c1-32-19-12-5-3-8-15(19)20-21-17(10-6-11-18(21)30)27-23-22(20)24(31)29-25(28-23)33-13-14-7-2-4-9-16(14)26/h2-5,7-9,12,20H,6,10-11,13H2,1H3,(H2,27,28,29,31)
C25H22FN3O3S463.5238832191500
3777336

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H22FN3O3S/c1-32-21-13-11-19(12-14-21)27-24(31)22-15-23(30)29(16-17-5-3-2-4-6-17)25(33-22)28-20-9-7-18(26)8-10-20/h2-14,22H,15-16H2,1H3,(H,27,31)/b28-25-
C25H22FN3O3S463.5238832191200
2979734

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H22FN3O3S/c1-32-21-13-11-19(12-14-21)27-23(30)15-22-24(31)29(20-5-3-2-4-6-20)25(33)28(22)16-17-7-9-18(26)10-8-17/h2-14,22H,15-16H2,1H3,(H,27,30)
C25H22FN3O3S463.5238832191200
1693156

Double-bond stereo
InChI=1/C25H22FN3O3S/c1-15-8-10-19(11-9-15)29-16(2)12-18(17(29)3)13-22-24(31)28(25(32)33-22)14-23(30)27-21-7-5-4-6-20(21)26/h4-13H,14H2,1-3H3,(H,27,30)/b22-13+
C25H22FN3O3S463.5239191300
4893616

Double-bond stereo
InChI=1/C25H22FN3O3S/c1-15-4-8-20(9-5-15)27-23(30)14-28-24(31)22(33-25(28)32)13-18-12-16(2)29(17(18)3)21-10-6-19(26)7-11-21/h4-13H,14H2,1-3H3,(H,27,30)/b22-13+
C25H22FN3O3S463.5239191100
2680846

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H22FN3O3S/c1-32-16-7-4-6-15(12-16)28-22(31)14-33-25-18(13-27)23(17-8-2-3-9-19(17)26)24-20(29-25)10-5-11-21(24)30/h2-4,6-9,12,23,29H,5,10-11,14H2,1H3,(H,28,31)
C25H22FN3O3S463.5238832181200
4157121

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H22FN3O3S/c26-19-4-1-2-5-20(19)29-23(30)16-21(25(29)32)28-13-11-27(12-14-28)18-9-7-17(8-10-18)24(31)22-6-3-15-33-22/h1-10,15,21H,11-14,16H2
C25H22FN3O3S463.5238832181300
2255373

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H22FN3O3S/c26-18-5-9-20(10-6-18)29-23(30)16-21(25(29)32)28-13-11-27(12-14-28)19-7-3-17(4-8-19)24(31)22-2-1-15-33-22/h1-10,15,21H,11-14,16H2
C25H22FN3O3S463.5238832181600
1622225

Double-bond stereo
InChI=1/C25H22FN3O3S/c1-15-8-10-19(11-9-15)27-23(30)14-28-24(31)22(33-25(28)32)13-18-12-16(2)29(17(18)3)21-7-5-4-6-20(21)26/h4-13H,14H2,1-3H3,(H,27,30)/b22-13-
C25H22FN3O3S463.5239181500
1679454

Double-bond stereo
InChI=1/C25H22FN3O3S/c1-15-5-4-6-20(11-15)27-23(30)14-28-24(31)22(33-25(28)32)13-18-12-16(2)29(17(18)3)21-9-7-19(26)8-10-21/h4-13H,14H2,1-3H3,(H,27,30)/b22-13+
C25H22FN3O3S463.5239181100
1596393

Double-bond stereo
InChI=1/C25H22FN3O3S/c1-4-32-25(31)22-21(17-7-9-19(26)10-8-17)15-33-24(22)28-23(30)18(14-27)13-16-5-11-20(12-6-16)29(2)3/h5-13,15H,4H2,1-3H3,(H,28,30)/b18-13+
C25H22FN3O3S463.5239171100
4211005

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H22FN3O3S/c1-12(2)9-19-27-28-25(33-19)29-21(15-5-7-16(26)8-6-15)20-22(30)17-10-13(3)14(4)11-18(17)32-23(20)24(29)31/h5-8,10-12,21H,9H2,1-4H3
C25H22FN3O3S463.5238832171100
2142373

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H22FN3O3S/c1-32-21-13-7-17(8-14-21)16-28(25(33)27-19-5-3-2-4-6-19)22-15-23(30)29(24(22)31)20-11-9-18(26)10-12-20/h2-14,22H,15-16H2,1H3,(H,27,33)
C25H22FN3O3S463.5238832171100
7861274

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H22FN3O3S/c1-31-22-13-19(9-12-21(22)32-16-18-5-3-2-4-6-18)15-27-29-25-28-24(30)23(33-25)14-17-7-10-20(26)11-8-17/h2-13,15,23H,14,16H2,1H3,(H,28,29,30)/b27-15+
C25H22FN3O3S463.5239171200
2615572

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H22FN3O3S/c1-32-19-13-11-18(12-14-19)27-25-29(16-17-7-3-2-4-8-17)24(31)22(33-25)15-23(30)28-21-10-6-5-9-20(21)26/h2-14,22H,15-16H2,1H3,(H,28,30)/b27-25-
C25H22FN3O3S463.5239161100
12345

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