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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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Isotopically Labeled
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Found 156 results

Search term: C22H28FN3O6S (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
393589


Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1
C22H28FN3O6S481.53768411912426
4943566

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17+/m0/s1
C22H28FN3O6S481.5376365300
4859072

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+
C22H28FN3O6S481.5376282400
4160370

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)
C22H28FN3O6S481.5376232152000
570967

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/t16-,17-/m1/s1
C22H28FN3O6S481.537610700
57373047

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H28FN3O6S/c1-11(2)20-17-10-16(18(28)8-13(27)9-19(29)30)15-7-12(23)5-6-14(15)21(17)25-22(24-20)26(3)33(4,31)32/h5-7,11,13,16,18,27-28H,8-10H2,1-4H3,(H,29,30)/t13-,16+,18+/m1/s1
C22H28FN3O6S481.537610800
57334431

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m0/s1
C22H28FN3O6S481.537610700
20429021
InChI=1/C22H28FN3O6S/c1-30-19-14-16(15-20(31-2)21(19)32-3)22(27)24-8-13-33(28,29)26-11-9-25(10-12-26)18-7-5-4-6-17(18)23/h4-7,14-15H,8-13H2,1-3H3,(H,24,27)
C22H28FN3O6S481.53769700
20429053
InChI=1/C22H28FN3O6S/c1-30-19-14-16(15-20(31-2)21(19)32-3)22(27)24-8-13-33(28,29)26-11-9-25(10-12-26)18-6-4-17(23)5-7-18/h4-7,14-15H,8-13H2,1-3H3,(H,24,27)
C22H28FN3O6S481.53769700
28295015

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17+/m1/s1
C22H28FN3O6S481.53768500
57373041

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H28FN3O6S/c1-11(2)20-17-10-16(18(28)8-13(27)9-19(29)30)15-7-12(23)5-6-14(15)21(17)25-22(24-20)26(3)33(4,31)32/h5-7,11,13,16,18,27-28H,8-10H2,1-4H3,(H,29,30)/t13-,16-,18+/m1/s1
C22H28FN3O6S481.53767500
65261635

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28FN3O6S/c23-17-10-24-6-5-15(17)11-26-12-16(27)9-25-33(30,31)21-4-2-1-3-20(21)32-14-22(13-26)7-18(28)19(29)8-22/h1-6,10,16,18-19,25,27-29H,7-9,11-14H2/t16-,18-,19+,22-/m0/s1
C22H28FN3O6S481.53765300
80829816

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H28FN3O6S/c23-16-5-3-15(4-6-16)21(30)26-9-8-25(22(31)19-11-24-14-33-19)7-1-2-10-32-13-18(28)20(29)17(27)12-26/h3-6,11,14,17-18,20,27-29H,1-2,7-10,12-13H2/t17-,18+,20+/m0/s1
C22H28FN3O6S481.53763300
33029165

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H28FN3O6S/c1-16-2-5-21(32-16)20(25-6-10-30-11-7-25)15-24-22(27)18-14-17(3-4-19(18)23)33(28,29)26-8-12-31-13-9-26/h2-5,14,20H,6-13,15H2,1H3,(H,24,27)
C22H28FN3O6S481.53763300
33824045

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9-
C22H28FN3O6S481.53763300
34953374

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H28FN3O6S/c23-18-7-6-17(12-19(18)32-13-15-2-3-15)21(16-4-5-16)25-33(29,30)11-1-10-31-14-26-9-8-20(27)24-22(26)28/h6-9,12,15-16,21,25H,1-5,10-11,13-14H2,(H,24,27,28)/t21-/m1/s1
C22H28FN3O6S481.53763300
58158473

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H28FN3O6S/c1-31-16-8-6-15(7-9-16)25-22(28)26-19-11-10-17(32-20(19)14-27)12-13-24-33(29,30)21-5-3-2-4-18(21)23/h2-9,17,19-20,24,27H,10-14H2,1H3,(H2,25,26,28)/t17-,19-,20-/m0/s1
C22H28FN3O6S481.53762200
58158593

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H28FN3O6S/c1-31-16-8-6-15(7-9-16)25-22(28)26-19-11-10-17(32-20(19)14-27)12-13-24-33(29,30)21-5-3-2-4-18(21)23/h2-9,17,19-20,24,27H,10-14H2,1H3,(H2,25,26,28)/t17-,19-,20+/m1/s1
C22H28FN3O6S481.53762200
58158682

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H28FN3O6S/c1-31-16-8-6-15(7-9-16)25-22(28)26-19-11-10-17(32-20(19)14-27)12-13-24-33(29,30)21-5-3-2-4-18(21)23/h2-9,17,19-20,24,27H,10-14H2,1H3,(H2,25,26,28)/t17-,19-,20+/m0/s1
C22H28FN3O6S481.53762200
58158739

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H28FN3O6S/c1-31-16-8-6-15(7-9-16)25-22(28)26-19-11-10-17(32-20(19)14-27)12-13-24-33(29,30)21-5-3-2-4-18(21)23/h2-9,17,19-20,24,27H,10-14H2,1H3,(H2,25,26,28)/t17-,19+,20+/m1/s1
C22H28FN3O6S481.53762200
12345

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