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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 3205 results

Search term: C22H22FN3O2 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3056


InChI=1/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)
C22H22FN3O2379.4274132179318578
160707

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H22FN3O2/c23-16-7-5-14(6-8-16)18-11-15-12-25(13-19(15)18)9-10-26-21(27)17-3-1-2-4-20(17)24-22(26)28/h1-8,15,18-19H,9-13H2,(H,24,28)/t15-,18-,19+/m1/s1
C22H22FN3O2379.4274242300
2652069
InChI=1/C22H22FN3O2/c23-20-5-2-1-4-17(20)16-25-11-13-26(14-12-25)19-9-7-18(8-10-19)24-22(27)21-6-3-15-28-21/h1-10,15H,11-14,16H2,(H,24,27)
C22H22FN3O2379.4274241700
4471080

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H22FN3O2/c1-3-8-17-19(21(27)28-4-2)20(14-9-7-10-15(23)13-14)26-18-12-6-5-11-16(18)24-22(26)25-17/h5-7,9-13,20H,3-4,8H2,1-2H3,(H,24,25)
C22H22FN3O2379.4273832211500
1399232

Double-bond stereo
InChI=1/C22H22FN3O2/c23-19-14-18(25-11-5-2-6-12-25)10-9-17(19)13-20-21(27)26(22(28)24-20)15-16-7-3-1-4-8-16/h1,3-4,7-10,13-14H,2,5-6,11-12,15H2,(H,24,28)/b20-13+
C22H22FN3O2379.4274201300
17536018

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H22FN3O2/c23-18-6-7-20-19(11-18)16(13-24-20)8-9-26-14-17(10-21(26)27)22(28)25-12-15-4-2-1-3-5-15/h1-7,11,13,17,24H,8-10,12,14H2,(H,25,28)
C22H22FN3O2379.4274191400
5936878
InChI=1/C22H22FN3O2/c23-17-10-8-15(9-11-17)14-26-20-16(5-4-12-24-20)13-19(22(26)28)21(27)25-18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,14H2,(H,25,27)
C22H22FN3O2379.4274181400
6020946
InChI=1/C22H22FN3O2/c23-18-11-7-10-17(14-18)22(27)26(19-12-5-2-6-13-19)15-20-24-21(25-28-20)16-8-3-1-4-9-16/h1,3-4,7-11,14,19H,2,5-6,12-13,15H2
C22H22FN3O2379.4274171200
11753534

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H22FN3O2/c1-3-7-17-19(21(27)28-4-2)20(14-10-12-15(23)13-11-14)26-18-9-6-5-8-16(18)24-22(26)25-17/h5-6,8-13,20H,3-4,7H2,1-2H3,(H,24,25)
C22H22FN3O2379.4274171200
11753540

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H22FN3O2/c1-3-9-17-19(21(27)28-4-2)20(14-10-5-6-11-15(14)23)26-18-13-8-7-12-16(18)24-22(26)25-17/h5-8,10-13,20H,3-4,9H2,1-2H3,(H,24,25)
C22H22FN3O2379.4274171200
17535906

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H22FN3O2/c1-14-5-6-20-19(9-14)15(12-24-20)7-8-26-13-16(10-21(26)27)22(28)25-18-4-2-3-17(23)11-18/h2-6,9,11-12,16,24H,7-8,10,13H2,1H3,(H,25,28)
C22H22FN3O2379.4274171300
17536014

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H22FN3O2/c1-14-3-2-4-18(9-14)25-22(28)16-10-21(27)26(13-16)8-7-15-12-24-20-6-5-17(23)11-19(15)20/h2-6,9,11-12,16,24H,7-8,10,13H2,1H3,(H,25,28)
C22H22FN3O2379.4274171300
4154614
InChI=1/C22H22FN3O2/c1-25-12-14-26(15-13-25)17-8-6-16(7-9-17)24-22(27)21-11-10-20(28-21)18-4-2-3-5-19(18)23/h2-11H,12-15H2,1H3,(H,24,27)
C22H22FN3O2379.4273832171000
4973616
InChI=1/C22H22FN3O2/c23-19-14-8-7-13-18(19)22(27)26(17-11-5-2-6-12-17)15-20-24-21(25-28-20)16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17H,2,5-6,11-12,15H2
C22H22FN3O2379.4274171200
5649040

Double-bond stereo
InChI=1/C22H22FN3O2/c23-18-8-4-17(5-9-18)15-26-21(27)20(24-22(26)28)14-16-6-10-19(11-7-16)25-12-2-1-3-13-25/h4-11,14H,1-3,12-13,15H2,(H,24,28)/b20-14+
C22H22FN3O2379.4274171600
4709204

Double-bond stereo
InChI=1/C22H22FN3O2/c23-19-7-3-2-6-17(19)15-26-21(27)20(24-22(26)28)14-16-8-10-18(11-9-16)25-12-4-1-5-13-25/h2-3,6-11,14H,1,4-5,12-13,15H2,(H,24,28)/b20-14-
C22H22FN3O2379.4274161200
17536038

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H22FN3O2/c1-14-4-2-3-5-19(14)25-22(28)16-10-21(27)26(13-16)9-8-15-12-24-20-7-6-17(23)11-18(15)20/h2-7,11-12,16,24H,8-10,13H2,1H3,(H,25,28)
C22H22FN3O2379.4274161300
21861432

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H22FN3O2/c1-4-20(22(28)24-17-9-7-16(23)8-10-17)26-21(27)12-11-19(25-26)18-13-14(2)5-6-15(18)3/h5-13,20H,4H2,1-3H3,(H,24,28)
C22H22FN3O2379.4274161100
26035133

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H22FN3O2/c1-16(11-12-17-7-3-2-4-8-17)24-21(27)15-26-22(28)14-13-20(25-26)18-9-5-6-10-19(18)23/h2-10,13-14,16H,11-12,15H2,1H3,(H,24,27)
C22H22FN3O2379.4274161100
5978398
InChI=1/C22H22FN3O2/c1-2-3-4-16-5-11-19(12-6-16)24-21(27)15-26-22(28)14-13-20(25-26)17-7-9-18(23)10-8-17/h5-14H,2-4,15H2,1H3,(H,24,27)
C22H22FN3O2379.4274161000
12345

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