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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 20 results

Search term: C28H22F3N7O (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
559260

InChI=1/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
C28H22F3N7O529.51581481555453
9355168
InChI=1/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-34-9-7-24(36-27)20-4-3-8-32-15-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-16-33-14-18(38)2/h3-16H,1-2H3,(H,35,39)(H,34,36,37)
C28H22F3N7O529.515881000
5244994
InChI=1/C28H22F3N7O/c29-28(30,31)20-11-6-10-19(15-20)25-23(38-39-26(25)32)16-18-9-4-5-12-21(18)34-27(33)35-24-14-13-22(36-37-24)17-7-2-1-3-8-17/h1-15H,16,32H2,(H3,33,34,35,37)
C28H22F3N7O529.51583200
9607411
InChI=1/C28H22F3N7O/c1-17-5-6-19(12-25(17)37-27-34-9-7-24(36-27)20-4-3-8-32-16-20)26(39)35-22-13-21(28(29,30)31)14-23(15-22)38-11-10-33-18(38)2/h3-16H,1-2H3,(H,35,39)(H,34,36,37)
C28H22F3N7O529.51583200
9931442
InChI=1/C28H22F3N7O/c1-17-5-7-21(15-24(17)37-27-34-11-9-23(36-27)20-4-3-10-32-16-20)35-26(39)19-6-8-25(22(14-19)28(29,30)31)38-13-12-33-18(38)2/h3-16H,1-2H3,(H,35,39)(H,34,36,37)
C28H22F3N7O529.51582100
9931443
InChI=1/C28H22F3N7O/c1-17-5-7-21(13-24(17)37-27-33-11-9-23(36-27)20-4-3-10-32-14-20)35-26(39)19-6-8-25(22(12-19)28(29,30)31)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
C28H22F3N7O529.51582100
9931444
InChI=1/C28H22F3N7O/c1-17-5-6-22(15-25(17)37-27-34-9-7-24(36-27)19-4-3-8-32-16-19)35-26(39)20-12-21(28(29,30)31)14-23(13-20)38-11-10-33-18(38)2/h3-16H,1-2H3,(H,35,39)(H,34,36,37)
C28H22F3N7O529.51582100
10150888
InChI=1/C28H22F3N7O/c1-36-25-16-35-23-6-3-17(18-2-4-19(14-32)34-15-18)12-21(23)26(25)38(27(36)39)20-5-7-24(22(13-20)28(29,30)31)37-10-8-33-9-11-37/h2-7,12-13,15-16,33H,8-11H2,1H3
C28H22F3N7O529.51582100
8431901
InChI=1/C28H22F3N7O/c1-17-5-6-22(13-25(17)37-27-33-9-7-24(36-27)19-4-3-8-32-14-19)35-26(39)20-10-21(28(29,30)31)12-23(11-20)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
C28H22F3N7O529.51582100
4923838
InChI=1/C28H22F3N7O/c29-28(30,31)20-11-6-10-19(15-20)25-23(36-38-26(25)32)16-18-9-4-5-12-21(18)33-27(39)34-24-14-13-22(35-37-24)17-7-2-1-3-8-17/h1-15H,16H2,(H3,32,36,38)(H2,33,34,37,39)
C28H22F3N7O529.51582100
9366851
InChI=1/C28H22F3N7O/c1-17-5-6-19(12-24(17)37-27-33-11-9-23(36-27)20-4-3-10-32-14-20)26(39)35-21-7-8-25(22(13-21)28(29,30)31)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
C28H22F3N7O529.51582100
9412911
InChI=1/C28H22F3N7O/c1-17-5-6-19(14-24(17)37-27-34-11-9-23(36-27)20-4-3-10-32-16-20)26(39)35-21-7-8-25(22(15-21)28(29,30)31)38-13-12-33-18(38)2/h3-16H,1-2H3,(H,35,39)(H,34,36,37)
C28H22F3N7O529.51582100
60959703
InChI=1/C28H22F3N7O/c1-17-5-6-19(8-25(17)37-27-33-13-21(14-34-27)20-4-3-7-32-12-20)26(39)36-23-9-22(28(29,30)31)10-24(11-23)38-15-18(2)35-16-38/h3-16H,1-2H3,(H,36,39)(H,33,34,37)
C28H22F3N7O529.51581100
103260114

Double-bond stereo
InChI=1/C28H22F3N7O/c1-17-25-23(13-24(19-9-10-19)34-26(25)38(36-17)22-5-3-2-4-6-22)27(39)35-32-14-18-7-11-21(12-8-18)37-16-20(15-33-37)28(29,30)31/h2-8,11-16,19H,9-10H2,1H3,(H,35,39)/b32-14-
C28H22F3N7O529.51581100
103270845

Double-bond stereo
InChI=1/C28H22F3N7O/c29-28(30,31)27-34-20-8-4-5-17(23(20)35-27)14-32-36-26(39)19-13-21(15-9-10-15)33-25-22(19)24(16-11-12-16)37-38(25)18-6-2-1-3-7-18/h1-8,13-16H,9-12H2,(H,34,35)(H,36,39)/b32-14-
C28H22F3N7O529.51581100
117244240

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H22F3N7O/c29-18-11-21-20(24(31)12-18)2-1-3-26(21)38-14-25(35-37-38)22-13-19(8-9-23(22)30)34-28(39)17-6-4-16(5-7-17)10-27-32-15-33-36-27/h4-9,11-15,26H,1-3,10H2,(H,34,39)(H,32,33,36)/t26-/m1/s1
C28H22F3N7O529.51581100
121658467
InChI=1/C28H22F3N7O/c29-19-7-8-21(26(31)25(19)30)34-23-15-24(36-27(35-23)18-5-3-9-32-16-18)37-10-12-38(13-11-37)28(39)22-14-17-4-1-2-6-20(17)33-22/h1-9,14-16,33H,10-13H2,(H,34,35,36)
C28H22F3N7O529.51581100
121659396

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H22F3N7O/c1-37-15-18(17-6-2-3-7-21(17)37)26-28(39)33-11-12-38(26)23-13-22(34-20-9-8-19(29)24(30)25(20)31)35-27(36-23)16-5-4-10-32-14-16/h2-10,13-15,26H,11-12H2,1H3,(H,33,39)(H,34,35,36)
C28H22F3N7O529.51581100
129272541
InChI=1/C28H22F3N7O/c1-17-3-4-19(9-25(17)37-26-10-18(5-6-34-26)21-12-32-16-33-13-21)27(39)36-24-8-20(22-14-35-38(2)15-22)7-23(11-24)28(29,30)31/h3-16H,1-2H3,(H,34,37)(H,36,39)
C28H22F3N7O529.51581100

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