Matches any text strings used to describe a molecule.
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
Additional Filters

Found 4107 results

Search term: C22H21N5O3 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10129890

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H21N5O3/c1-28-19-9-15-18(10-20(19)29-2)24-13-25-22(15)27-8-7-14(12-27)30-21-11-23-16-5-3-4-6-17(16)26-21/h3-6,9-11,13-14H,7-8,12H2,1-2H3/t14-/m1/s1
C22H21N5O3403.4338413200
1014347
InChI=1/C22H21N5O3/c1-25-20-19(21(29)26(2)22(25)30)27(14-23-20)13-17(28)24-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,18H,13H2,1-2H3,(H,24,28)
C22H21N5O3403.4338312100
579133

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H21N5O3/c1-14-12-26(15-8-10-17(11-9-15)30-16-6-4-3-5-7-16)21-23-19-18(27(21)13-14)20(28)24-22(29)25(19)2/h3-11,14H,12-13H2,1-2H3,(H,24,28,29)
C22H21N5O3403.4338271700
9878824

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H21N5O3/c1-28-19-9-15-18(10-20(19)29-2)24-13-25-22(15)27-8-7-14(12-27)30-21-11-23-16-5-3-4-6-17(16)26-21/h3-6,9-11,13-14H,7-8,12H2,1-2H3
C22H21N5O3403.4338272500
2225925

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H21N5O3/c1-10-8-21(3,4)27-17-13(10)6-12(29-5)7-14(17)22(20(27)28)15(9-23)18(24)30-19-16(22)11(2)25-26-19/h6-8H,24H2,1-5H3,(H,25,26)
C22H21N5O3403.43384261800
2422317

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H21N5O3/c1-29-16-10-11-20(30-2)15(12-16)13-18(21-24-26-27-25-21)22(28)23-19-9-5-7-14-6-3-4-8-17(14)19/h3-12,18H,13H2,1-2H3,(H,23,28)(H,24,25,26,27)
C22H21N5O3403.4338232200
4471228

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H21N5O3/c1-29-18-6-5-13(10-19(18)30-2)15-8-16-20(17(28)9-15)21(14-4-3-7-23-11-14)27-22(26-16)24-12-25-27/h3-7,10-12,15,21H,8-9H2,1-2H3,(H,24,25,26)
C22H21N5O3403.43384231500
3733756

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H21N5O3/c1-29-16-11-10-15(20(13-16)30-2)12-18(21-24-26-27-25-21)22(28)23-19-9-5-7-14-6-3-4-8-17(14)19/h3-11,13,18H,12H2,1-2H3,(H,23,28)(H,24,25,26,27)
C22H21N5O3403.43384222300
4536039

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H21N5O3/c1-13-6-4-5-7-17(13)26-20(28)18-14(2)25-22-23-12-24-27(22)19(18)15-8-10-16(11-9-15)21(29)30-3/h4-12,19H,1-3H3,(H,26,28)(H,23,24,25)
C22H21N5O3403.4338211500
21525615

Double-bond stereo
InChI=1/C22H21N5O3/c1-13-5-4-10-27-19(13)25-20-17(22(27)29)11-16(18(23)26(20)2)21(28)24-12-14-6-8-15(30-3)9-7-14/h4-11,23H,12H2,1-3H3,(H,24,28)
C22H21N5O3403.4338211500
11888641

Double-bond stereo
InChI=1/C22H21N5O3/c23-19-16(21(28)24-14-6-1-2-7-14)12-17-20(27(19)13-15-8-5-11-30-15)25-18-9-3-4-10-26(18)22(17)29/h3-5,8-12,14,23H,1-2,6-7,13H2,(H,24,28)
C22H21N5O3403.4338201500
11968739

Double-bond stereo
InChI=1/C22H21N5O3/c1-30-12-11-27-19(23)16(21(28)24-14-15-7-3-2-4-8-15)13-17-20(27)25-18-9-5-6-10-26(18)22(17)29/h2-10,13,23H,11-12,14H2,1H3,(H,24,28)
C22H21N5O3403.4338201400
913187
InChI=1/C22H21N5O3/c1-24-19-18(20(28)27(22(24)29)14-15-6-4-3-5-7-15)26-13-12-25(21(26)23-19)16-8-10-17(30-2)11-9-16/h3-11H,12-14H2,1-2H3
C22H21N5O3403.4338201200
1015727
InChI=1/C22H21N5O3/c1-4-16-17(14-9-6-5-7-10-14)26(13-15-11-8-12-30-15)21-23-19-18(27(16)21)20(28)25(3)22(29)24(19)2/h5-12H,4,13H2,1-3H3
C22H21N5O3403.4338201300
1430710

Double-bond stereo
InChI=1/C22H21N5O3/c23-14-16(21(28)24-15-17-7-6-12-30-17)13-18-20(26-9-3-1-4-10-26)25-19-8-2-5-11-27(19)22(18)29/h2,5-8,11-13H,1,3-4,9-10,15H2,(H,24,28)/b16-13+
C22H21N5O3403.4338201100
4045213
InChI=1/C22H21N5O3/c1-15-13-27-18-19(23-21(27)26(15)14-17-9-6-12-30-17)24(2)22(29)25(20(18)28)11-10-16-7-4-3-5-8-16/h3-9,12-13H,10-11,14H2,1-2H3
C22H21N5O3403.43384201100
4071294
InChI=1/C22H21N5O3/c1-14-15(2)27-18-19(23-21(27)25(14)13-17-10-7-11-30-17)24(3)22(29)26(20(18)28)12-16-8-5-4-6-9-16/h4-11H,12-13H2,1-3H3
C22H21N5O3403.43384201100
4079332
InChI=1/C22H21N5O3/c1-24-19-18(20(28)27(22(24)29)14-15-8-4-3-5-9-15)26-13-12-25(21(26)23-19)16-10-6-7-11-17(16)30-2/h3-11H,12-14H2,1-2H3
C22H21N5O3403.43384191100
4151875
InChI=1/C22H21N5O3/c1-3-25-20(28)18-19(24(2)22(25)29)23-21-26(13-14-27(18)21)15-9-11-17(12-10-15)30-16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3
C22H21N5O3403.43384191100
4462375
InChI=1/C22H21N5O3/c1-13-7-9-15(10-8-13)17-14(2)27-18-19(24(3)22(29)25(4)20(18)28)23-21(27)26(17)12-16-6-5-11-30-16/h5-11H,12H2,1-4H3
C22H21N5O3403.43384191300
12345

Advertisement