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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 524 results

Search term: C21H22F3NO4 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8700954

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22F3NO4/c1-25(19(26)11-12-20(27)28)14-13-18(15-5-3-2-4-6-15)29-17-9-7-16(8-10-17)21(22,23)24/h2-10,18H,11-14H2,1H3,(H,27,28)
C21H22F3NO4409.3989353500
1062057
InChI=1/C21H22F3NO4/c1-28-19(26)15-11-25(13-7-3-4-8-13)12-16(20(27)29-2)18(15)14-9-5-6-10-17(14)21(22,23)24/h5-6,9-13,18H,3-4,7-8H2,1-2H3
C21H22F3NO4409.3989241700
2144614

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22F3NO4/c1-12-17(20(27)29-11-10-28-2)18(19-15(25-12)4-3-5-16(19)26)13-6-8-14(9-7-13)21(22,23)24/h6-9,18,25H,3-5,10-11H2,1-2H3
C21H22F3NO4409.3988896231700
1101014
InChI=1/C21H22F3NO4/c1-28-19(26)16-11-25(15-5-3-4-6-15)12-17(20(27)29-2)18(16)13-7-9-14(10-8-13)21(22,23)24/h7-12,15,18H,3-6H2,1-2H3
C21H22F3NO4409.3989211400
1022605
InChI=1/C21H22F3NO4/c1-27-17-7-6-14(13-18(17)28-2)20(8-10-29-11-9-20)19(26)25-16-5-3-4-15(12-16)21(22,23)24/h3-7,12-13H,8-11H2,1-2H3,(H,25,26)
C21H22F3NO4409.3989191400
4099437

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H22F3NO4/c1-12-8-13(2)10-15(9-12)11-18(14(3)20(27)28)19(26)25-16-4-6-17(7-5-16)29-21(22,23)24/h4-10,14,18H,11H2,1-3H3,(H,25,26)(H,27,28)
C21H22F3NO4409.3988896171200
2374578

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22F3NO4/c1-4-28-19(27)17-15(11-5-7-12(8-6-11)21(22,23)24)16-13(26)9-20(2,3)10-14(16)29-18(17)25/h5-8,15H,4,9-10,25H2,1-3H3
C21H22F3NO4409.3988896151000
52082918

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22F3NO4/c1-3-14(20(27)28)10-13-4-6-15(7-5-13)19(26)25-12-16-8-9-17(29-2)11-18(16)21(22,23)24/h4-9,11,14H,3,10,12H2,1-2H3,(H,25,26)(H,27,28)
C21H22F3NO4409.3989131200
4390621

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22F3NO4/c1-13(26)25-8-7-14-9-19(27-2)20(28-3)11-17(14)18(25)12-29-16-6-4-5-15(10-16)21(22,23)24/h4-6,9-11,18H,7-8,12H2,1-3H3
C21H22F3NO4409.3988896131000
2745883

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22F3NO4/c1-13(2)12-28-18-9-7-15(8-10-18)20(27)29-14(3)19(26)25-17-6-4-5-16(11-17)21(22,23)24/h4-11,13-14H,12H2,1-3H3,(H,25,26)
C21H22F3NO4409.398889612800
4060051
InChI=1/C21H22F3NO4/c1-21(2,3)13-4-6-14(7-5-13)28-11-10-18(27)29-12-17(26)25-16-9-8-15(22)19(23)20(16)24/h4-9H,10-12H2,1-3H3,(H,25,26)
C21H22F3NO4409.398889612800
2369194

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22F3NO4/c1-4-25(18(26)17-9-7-6-8-14(17)3)16-12-10-15(11-13-16)20(28,21(22,23)24)19(27)29-5-2/h6-13,28H,4-5H2,1-3H3
C21H22F3NO4409.398889612700
4149397
InChI=1/C21H22F3NO4/c1-2-3-12-28-17-10-8-15(9-11-17)20(27)25-13-19(26)29-14-16-6-4-5-7-18(16)21(22,23)24/h4-11H,2-3,12-14H2,1H3,(H,25,27)
C21H22F3NO4409.398889611700
7407632

Double-bond stereo
InChI=1/C21H22F3NO4/c1-14-11-18(15(2)25(14)9-10-28-3)19(26)13-29-20(27)8-7-16-5-4-6-17(12-16)21(22,23)24/h4-8,11-12H,9-10,13H2,1-3H3/b8-7+
C21H22F3NO4409.3989111000
11706673
InChI=1/C21H22F3NO4/c1-4-9-29-19-8-6-16(21(22,23)24)12-17(19)25-20(27)11-15-10-14(13(2)26)5-7-18(15)28-3/h5-8,10,12H,4,9,11H2,1-3H3,(H,25,27)
C21H22F3NO4409.398910800
28349303

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H22F3NO4/c1-12-8-13(2)10-15(9-12)11-18(20(27)28)14(3)19(26)25-16-4-6-17(7-5-16)29-21(22,23)24/h4-10,14,18H,11H2,1-3H3,(H,25,26)(H,27,28)
C21H22F3NO4409.398910700
2078061
InChI=1/C21H22F3NO4/c1-2-3-4-5-6-7-15-8-10-16(11-9-15)20(26)29-19-13-12-17(21(22,23)24)14-18(19)25(27)28/h8-14H,2-7H2,1H3
C21H22F3NO4409.398889610800
30195312
InChI=1/C21H22F3NO4/c1-27-17-11-19(29-3)18(28-2)10-16(17)20(26)25(15-8-9-15)12-13-4-6-14(7-5-13)21(22,23)24/h4-7,10-11,15H,8-9,12H2,1-3H3
C21H22F3NO4409.39899600
8516904

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H22F3NO4/c1-3-15(20(27)28)10-14-6-9-18(29-2)17(11-14)19(26)25-12-13-4-7-16(8-5-13)21(22,23)24/h4-9,11,15H,3,10,12H2,1-2H3,(H,25,26)(H,27,28)/t15-/m0/s1
C21H22F3NO4409.398991000
11698150
InChI=1/C21H22F3NO4/c1-27-9-10-28-19-8-6-16(21(22,23)24)12-18(19)25-20(26)13-29-17-7-5-14-3-2-4-15(14)11-17/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,25,26)
C21H22F3NO4409.39899800
12345

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