Matches any text strings used to describe a molecule.
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 20 results

Search term: C12H9F2N5O2S (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
82857
InChI=1/C12H9F2N5O2S/c1-7-5-6-19-11(15-7)16-12(17-19)22(20,21)18-10-8(13)3-2-4-9(10)14/h2-6,18H,1H3
C12H9F2N5O2S325.29495110221
3960047
InChI=1/C12H9F2N5O2S/c1-7-2-10(11(13)14)17-12(9(7)3-15)22-6-18-5-8(4-16-18)19(20)21/h2,4-5,11H,6H2,1H3
C12H9F2N5O2S325.294161000
30216276
InChI=1/C12H9F2N5O2S/c1-5-15-10(19(20)21)11(18(5)2)22-12-16-8-3-6(13)7(14)4-9(8)17-12/h3-4H,1-2H3,(H,16,17)
C12H9F2N5O2S325.2948600
30408860
InChI=1/C12H9F2N5O2S/c13-9-3-2-8(10(14)6-9)7-22(20,21)18-11-16-12-15-4-1-5-19(12)17-11/h1-6H,7H2,(H,17,18)
C12H9F2N5O2S325.2947400
64936615
InChI=1/C12H9F2N5O2S/c13-11(14)21-8-2-1-7(15-6-8)5-16-12-18-17-10(22-12)9-3-4-20-19-9/h1-4,6,11H,5H2,(H,16,18)
C12H9F2N5O2S325.2946600
21288896

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H9F2N5O2S/c13-6-2-1-5(3-7(6)14)19-9(20)4-8(10(19)21)22-12-16-11(15)17-18-12/h1-3,8H,4H2,(H3,15,16,17,18)
C12H9F2N5O2S325.2944300
16993774
InChI=1/C12H9F2N5O2S/c1-17-6-15-9(19(20)21)10(17)22-12-16-7-4-2-3-5-8(7)18(12)11(13)14/h2-6,11H,1H3
C12H9F2N5O2S325.2942100
82775432

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H9F2N5O2S/c1-12(5(4-15)10(16)17-11(22)18-12)8-6(13)2-3-7(9(8)14)19(20)21/h2-3H,16H2,1H3,(H2,17,18,22)
C12H9F2N5O2S325.2941100
100436324

Double-bond stereo
InChI=1/C12H9F2N5O2S/c13-6-3-8(14)7(9(15)4-6)5-17-19-11(21)10(20)18-12-16-1-2-22-12/h1-5H,15H2,(H,19,21)(H,16,18,20)/b17-5-
C12H9F2N5O2S325.2941100
100437346

Double-bond stereo
InChI=1/C12H9F2N5O2S/c13-7-2-1-6(9(15)8(7)14)5-17-19-11(21)10(20)18-12-16-3-4-22-12/h1-5H,15H2,(H,19,21)(H,16,18,20)/b17-5-
C12H9F2N5O2S325.2941100
102576175

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H9F2N5O2S/c1-12(7(4-15)10(16)17-11(22)18-12)6-2-5(13)3-8(14)9(6)19(20)21/h2-3H,16H2,1H3,(H2,17,18,22)
C12H9F2N5O2S325.2941100
102576517

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H9F2N5O2S/c1-12(6(4-15)10(16)17-11(22)18-12)5-2-9(19(20)21)8(14)3-7(5)13/h2-3H,16H2,1H3,(H2,17,18,22)
C12H9F2N5O2S325.2941100
102576572

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H9F2N5O2S/c1-12(6(4-15)10(16)17-11(22)18-12)9-7(14)2-5(13)3-8(9)19(20)21/h2-3H,16H2,1H3,(H2,17,18,22)
C12H9F2N5O2S325.2941100
102583730

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H9F2N5O2S/c13-4-1-3(8(20)6(14)9(4)21)7-5-10(15)16-2-17-11(5)19-12(22)18-7/h1-2,7,20-21H,(H4,15,16,17,18,19,22)
C12H9F2N5O2S325.2941100
102785624
InChI=1/C12H9F2N5O2S/c1-22(20,21)19(12-8(13)3-2-4-9(12)14)11-6-15-5-10-17-16-7-18(10)11/h2-7H,1H3
C12H9F2N5O2S325.2941100
102808387
InChI=1/C12H9F2N5O2S/c1-22(20,21)19(10-3-2-8(13)4-9(10)14)12-6-15-5-11-17-16-7-18(11)12/h2-7H,1H3
C12H9F2N5O2S325.2941100
107501937
InChI=1/C12H9F2N5O2S/c13-9(14)10-19-18-8(21-10)4-3-7(20)17-12-16-6-2-1-5-15-11(6)22-12/h1-2,5,9H,3-4H2,(H,16,17,20)
C12H9F2N5O2S325.2941100
107875380
InChI=1/C12H9F2N5O2S/c13-11(14)12-16-9(21-17-12)5-15-8(20)4-6-2-1-3-7-10(6)19-22-18-7/h1-3,11H,4-5H2,(H,15,20)
C12H9F2N5O2S325.2941100
114893000
InChI=1/C12H9F2N5O2S/c13-8-1-2-11(10(14)5-8)19-4-3-9(18-19)6-22(20,21)12-15-7-16-17-12/h1-5,7H,6H2,(H,15,16,17)
C12H9F2N5O2S325.2941100
123921217
InChI=1/C12H9F2N5O2S/c13-9-4-1-7(5-10(9)14)19-12(11(6-15)16-18-19)17-22(20,21)8-2-3-8/h1,4-5,8,17H,2-3H2
C12H9F2N5O2S325.2941100

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