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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 607 results

Search term: C22H28O3 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
13192

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1
C22H28O3340.45599810923
5627


6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22-/m0/s1
C22H28O3340.4559877566629
25046225
InChI=1/C22H28O3/c1-2-3-4-5-6-8-17-11-13-18(14-12-17)15-16-19-9-7-10-20(23)21(19)22(24)25/h7,9-14,23H,2-6,8,15-16H2,1H3,(H,24,25)
C22H28O3340.4559413800
24589968
InChI=1/C22H28O3/c1-3-5-7-8-18-9-11-19(12-10-18)22(23)25-21-15-13-20(14-16-21)24-17-6-4-2/h9-16H,3-8,17H2,1-2H3
C22H28O3340.4559393100
56719

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22+/m0/s1
C22H28O3340.4559343100
1299463
InChI=1/C22H28O3/c1-21(2,3)16-12-15(13-17(14-16)22(4,5)6)20(23)25-19-11-9-8-10-18(19)24-7/h8-14H,1-7H3
C22H28O3340.4559221400
2855266
InChI=1/C22H28O3/c1-2-3-4-5-6-7-8-17-25-21-15-13-19(14-16-21)18-9-11-20(12-10-18)22(23)24/h9-16H,2-8,17H2,1H3,(H,23,24)
C22H28O3340.45592222300
1384029
InChI=1/C22H28O3/c1-6-7-8-9-10-15-14(2)16-11-17-18(22(3,4)5)13-24-19(17)12-20(16)25-21(15)23/h11-13H,6-10H2,1-5H3
C22H28O3340.4559201000
1404036

Double-bond stereo
InChI=1/C22H28O3/c1-6-18-14-21(23)25-22-17(5)20(11-10-19(18)22)24-13-12-16(4)9-7-8-15(2)3/h8,10-12,14H,6-7,9,13H2,1-5H3/b16-12+
C22H28O3340.4559201200
282625

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3
C22H28O3340.45591820500
1461149
InChI=1/C22H28O3/c1-21(2,3)17-12-15(13-18(19(17)23)22(4,5)6)14-25-20(24)16-10-8-7-9-11-16/h7-13,23H,14H2,1-6H3
C22H28O3340.4559161200
730704
InChI=1/C22H28O3/c1-14(2)18-9-7-16(5)11-20(18)24-13-22(23)25-21-12-17(6)8-10-19(21)15(3)4/h7-12,14-15H,13H2,1-6H3
C22H28O3340.4559151100
471291

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3
C22H28O3340.455914216629
170575
InChI=1/C22H28O3/c1-17(23)22-19(15-20(24)16-21(22)25)14-10-5-3-2-4-7-11-18-12-8-6-9-13-18/h6,8-9,12-13,15-16,24-25H,2-5,7,10-11,14H2,1H3
C22H28O3340.4559141100
3510415

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H28O3/c1-2-3-4-6-17-8-10-18(11-9-17)19-12-14-20(15-13-19)25-22(23)21-7-5-16-24-21/h5,7,12-18H,2-4,6,8-11H2,1H3
C22H28O3340.4559214900
21749764
InChI=1/C22H28O3/c1-7-8-9-10-15-14(3)19-17(25-21(15)23)11-13(2)18-16(22(4,5)6)12-24-20(18)19/h11-12H,7-10H2,1-6H3
C22H28O3340.455914900
1381621
InChI=1/C22H28O3/c1-3-4-5-6-7-8-17-25-21-15-11-19(12-16-21)22(23)18-9-13-20(24-2)14-10-18/h9-16H,3-8,17H2,1-2H3
C22H28O3340.4559141100
1706808
InChI=1/C22H28O3/c1-6-8-19-11-12-20(21(15-19)23-5)24-13-7-14-25-22-17(3)10-9-16(2)18(22)4/h6,9-12,15H,1,7-8,13-14H2,2-5H3
C22H28O3340.455913900
2299104

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,23,25H,5-10,12H2,2-3H3/b14-13-/t16-,17+,18+,20+,21+,22+/m1/s1
C22H28O3340.45592131300
1309021
InChI=1/C22H28O3/c1-16-8-11-20(15-17(16)2)25-21(23)7-6-14-24-19-12-9-18(10-13-19)22(3,4)5/h8-13,15H,6-7,14H2,1-5H3
C22H28O3340.455913800
12345

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