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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 126 results

Search term: C21H26FN3O6S (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8131833

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H26FN3O6S/c1-12(2)19-17(9-8-15(26)10-16(27)11-18(28)29)20(13-4-6-14(22)7-5-13)24-21(23-19)25-32(3,30)31/h4-9,12,15-16,26-27H,10-11H2,1-3H3,(H,28,29)(H,23,24,25)/b9-8+/t15-,16-/m1/s1
C21H26FN3O6S467.511171500
23089077

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H22FN3O3.CH4O3S/c1-22-8-13-5-4-12(22)9-23(13)18-7-17-14(6-16(18)21)19(25)15(20(26)27)10-24(17)11-2-3-11;1-5(2,3)4/h6-7,10-13H,2-5,8-9H2,1H3,(H,26,27);1H3,(H,2,3,4)
C21H26FN3O6S467.5119571
26039171

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H26FN3O6S/c22-14-1-2-16-17(12-25(18(16)11-14)5-3-19(26)27)20(21(28)29)24-8-6-23(7-9-24)15-4-10-32(30,31)13-15/h1-2,11-12,15,20H,3-10,13H2,(H,26,27)(H,28,29)
C21H26FN3O6S467.5119800
11821513

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H26FN3O6S/c1-15(19(26)24-21(14-23)7-3-2-4-8-21)31-20(27)16-5-6-17(22)18(13-16)32(28,29)25-9-11-30-12-10-25/h5-6,13,15H,2-4,7-12H2,1H3,(H,24,26)
C21H26FN3O6S467.5119600
11831581

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H26FN3O6S/c1-15(19(26)24-21(14-23)7-3-2-4-8-21)31-20(27)17-13-16(5-6-18(17)22)32(28,29)25-9-11-30-12-10-25/h5-6,13,15H,2-4,7-12H2,1H3,(H,24,26)
C21H26FN3O6S467.5119600
17370495

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H26FN3O6S/c1-15(16-4-6-17(22)7-5-16)23-13-18(26)14-31-21-9-8-19(12-20(21)25(27)28)32(29,30)24-10-2-3-11-24/h4-9,12,15,18,23,26H,2-3,10-11,13-14H2,1H3
C21H26FN3O6S467.5119700
20438464

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H26FN3O6S/c22-16-4-6-17(7-5-16)32(28,29)19(18-3-1-12-31-18)15-24-21(27)20(26)23-8-2-9-25-10-13-30-14-11-25/h1,3-7,12,19H,2,8-11,13-15H2,(H,23,26)(H,24,27)
C21H26FN3O6S467.5119800
32698738

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H22FN3O3.CH4O3S/c1-22-12-4-5-13(22)9-23(8-12)18-7-17-14(6-16(18)21)19(25)15(20(26)27)10-24(17)11-2-3-11;1-5(2,3)4/h6-7,10-13H,2-5,8-9H2,1H3,(H,26,27);1H3,(H,2,3,4)/t12-,13+;
C21H26FN3O6S467.51191000
22803321

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H26FN3O6S/c1-12(2)19-17(9-8-15(26)10-16(27)11-18(28)29)20(13-4-6-14(22)7-5-13)24-21(23-19)25-32(3,30)31/h4-9,12,15-16,26-27H,10-11H2,1-3H3,(H,28,29)(H,23,24,25)/b9-8+
C21H26FN3O6S467.5116500
9678494
InChI=1/C21H26FN3O6S/c1-13(2)29-21(26)25-9-7-15(8-10-25)30-19-14(3)20(24-12-23-19)31-18-6-5-16(11-17(18)22)32(4,27)28/h5-6,11-13,15H,7-10H2,1-4H3
C21H26FN3O6S467.5115400
30997882

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H26FN3O6S/c22-14-1-2-16-17(12-25(18(16)11-14)5-3-19(26)27)20(21(28)29)24-8-6-23(7-9-24)15-4-10-32(30,31)13-15/h1-2,11-12,15,20H,3-10,13H2,(H2-,26,27,28,29,30,31)
C21H26FN3O6S467.5114200
64880734

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H22FN3O3.CH4O3S/c1-22-12-4-5-13(22)9-23(8-12)18-7-17-14(6-16(18)21)19(25)15(20(26)27)10-24(17)11-2-3-11;1-5(2,3)4/h6-7,10-13H,2-5,8-9H2,1H3,(H,26,27);1H3,(H,2,3,4)
C21H26FN3O6S467.5114300
68384761

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H26FN3O6S/c1-20(27)13-30-21(12-18(20)24-32(2,28)29)7-9-25(10-8-21)19(26)16-11-17(31-23-16)14-3-5-15(22)6-4-14/h3-6,11,18,24,27H,7-10,12-13H2,1-2H3/t18-,20-/m0/s1
C21H26FN3O6S467.5114300
68414086

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H26FN3O6S/c1-20(27)13-30-21(12-18(20)24-32(2,28)29)6-8-25(9-7-21)19(26)17-11-16(23-31-17)14-4-3-5-15(22)10-14/h3-5,10-11,18,24,27H,6-9,12-13H2,1-2H3/t18-,20-/m0/s1
C21H26FN3O6S467.5114300
68650017

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H26FN3O6S/c1-20(27)13-30-21(12-18(20)24-32(2,28)29)7-9-25(10-8-21)19(26)17-11-16(23-31-17)14-5-3-4-6-15(14)22/h3-6,11,18,24,27H,7-10,12-13H2,1-2H3/t18-,20-/m0/s1
C21H26FN3O6S467.5114300
11820748

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H26FN3O6S/c1-23-32(29,30)15-2-3-17(22)16(7-15)19(27)31-11-18(26)24-20(28)25-21-8-12-4-13(9-21)6-14(5-12)10-21/h2-3,7,12-14,23H,4-6,8-11H2,1H3,(H2,24,25,26,28)
C21H26FN3O6S467.5113200
107444372

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C14H18FN3O3.C7H8O3S/c15-12-7-10(18-9-11(8-16)21-14(18)19)1-2-13(12)17-3-5-20-6-4-17;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,7,11H,3-6,8-9,16H2;2-5H,1H3,(H,8,9,10)/t11-;/m1./s1
C21H26FN3O6S467.5112200
33404403
InChI=1/C21H26FN3O6S/c1-29-17-6-7-19(30-2)20(15-17)32(27,28)25-11-9-24(10-12-25)21(26)23-8-13-31-18-5-3-4-16(22)14-18/h3-7,14-15H,8-13H2,1-2H3,(H,23,26)
C21H26FN3O6S467.5112200
33858179
InChI=1/C21H26FN3O6S/c1-13-18(32(28,29)25-9-5-6-10-25)12-17(30-13)19(26)23-16-11-14(22)7-8-15(16)24-20(27)31-21(2,3)4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,23,26)(H,24,27)
C21H26FN3O6S467.5112200
33858188
InChI=1/C21H26FN3O6S/c1-21(2,3)31-20(27)25-17-10-7-15(22)13-18(17)24-19(26)14-5-8-16(9-6-14)32(28,29)23-11-12-30-4/h5-10,13,23H,11-12H2,1-4H3,(H,24,26)(H,25,27)
C21H26FN3O6S467.5112200
12345

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