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 62 results

Search term: C20H22N8O5 (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
112728

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
C20H22N8O5454.439316129027878179
3969

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)
C20H22N8O5454.4393911773327509168
65367

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m1/s1
C20H22N8O5454.4393444890
2304150

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H22N8O5/c1-28(9-11-8-23-15-16(21)26-20(22)27-17(15)24-11)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,24,26,27)/t13-/m0/s1
C20H22N8O5454.43928151500
241821
InChI=1/C20H22N8O5/c1-28(9-12-8-23-18-16(24-12)17(21)26-20(22)27-18)13-4-2-10(3-5-13)19(33)25-11(6-14(29)30)7-15(31)32/h2-5,8,11H,6-7,9H2,1H3,(H,25,33)(H,29,30)(H,31,32)(H4,21,22,23,26,27)
C20H22N8O5454.439313900
271503

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H22N8O5/c21-17-16-18(28-20(22)27-17)24-9-12(25-16)8-23-11-3-1-10(2-4-11)7-14(29)26-13(19(32)33)5-6-15(30)31/h1-4,9,13,23H,5-8H2,(H,26,29)(H,30,31)(H,32,33)(H4,21,22,24,27,28)
C20H22N8O5454.43938800
305190

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H22N8O5/c1-9(13-8-23-17-15(25-13)16(21)27-20(22)28-17)24-11-4-2-10(3-5-11)18(31)26-12(19(32)33)6-7-14(29)30/h2-5,8-9,12,24H,6-7H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,21,22,23,27,28)
C20H22N8O5454.43937700
252727

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H22N8O5/c1-9-13(25-15-16(21)27-20(22)28-17(15)24-9)8-23-11-4-2-10(3-5-11)18(31)26-12(19(32)33)6-7-14(29)30/h2-5,12,23H,6-8H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,21,22,24,27,28)
C20H22N8O5454.43937700
235209

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H22N8O5/c1-9-6-10(18(31)26-13(19(32)33)4-5-14(29)30)2-3-12(9)23-7-11-8-24-17-15(25-11)16(21)27-20(22)28-17/h2-3,6,8,13,23H,4-5,7H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,21,22,24,27,28)
C20H22N8O5454.43936500
2311836

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H22N8O5/c1-28(9-11-8-23-15-16(21)26-20(22)27-17(15)24-11)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,24,26,27)/t13-/m1/s1
C20H22N8O5454.439286600
8072722

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H22N8O5/c1-28(9-11-8-23-15-16(21)26-20(22)27-17(15)24-11)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,24,26,27)
C20H22N8O5454.43934700
165864

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H22N8O5/c21-16-15-17(28-20(22)27-16)24-9-12(25-15)8-23-7-10-1-3-11(4-2-10)18(31)26-13(19(32)33)5-6-14(29)30/h1-4,9,13,23H,5-8H2,(H,26,31)(H,29,30)(H,32,33)(H4,21,22,24,27,28)/t13-/m0/s1
C20H22N8O5454.43934400
34243385

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H22N8O5/c21-17-16-18(28-20(22)27-17)24-9-12(25-16)8-23-11-3-1-10(2-4-11)7-14(29)26-13(19(32)33)5-6-15(30)31/h1-4,9,13,23H,5-8H2,(H,26,29)(H,30,31)(H,32,33)(H4,21,22,24,27,28)/t13-/m0/s1
C20H22N8O5454.43934300
256112

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H22N8O5/c1-28(9-10-8-23-17-15(24-10)16(21)26-20(22)27-17)13-5-3-2-4-11(13)18(31)25-12(19(32)33)6-7-14(29)30/h2-5,8,12H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)
C20H22N8O5454.43933200
252563

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-3-10(7-12)18(31)25-13(19(32)33)5-6-14(29)30/h2-4,7-8,13H,5-6,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)
C20H22N8O5454.43933200
23235056
InChI=1/C20H22N8O5/c1-27(9-12-8-23-18-16(24-12)17(21)25-20(22)26-18)13-4-2-11(3-5-13)19(33)28(10-15(31)32)7-6-14(29)30/h2-5,8H,6-7,9-10H2,1H3,(H,29,30)(H,31,32)(H4,21,22,23,25,26)
C20H22N8O5454.43933300
9012719

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H22N8O5/c1-9-6-10(18(31)26-13(19(32)33)4-5-14(29)30)2-3-12(9)23-7-11-8-24-17-15(25-11)16(21)27-20(22)28-17/h2-3,6,8,13,23H,4-5,7H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,21,22,24,27,28)/t13-/m0/s1
C20H22N8O5454.43932100
58460783
InChI=1/C20H22N8O5/c1-24-17-15(18(30)25(2)19(24)31)26(11-22-17)10-14(29)21-7-8-27-20(32)28(12-5-6-12)16(23-27)13-4-3-9-33-13/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,21,29)
C20H22N8O5454.43932200
64883404

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H22N8O5/c21-16-15-17(28-20(22)27-16)24-9-12(25-15)8-23-7-10-1-3-11(4-2-10)18(31)26-13(19(32)33)5-6-14(29)30/h1-4,9,13,23H,5-8H2,(H,26,31)(H,29,30)(H,32,33)(H4,21,22,24,27,28)
C20H22N8O5454.43932200
66920502
InChI=1/C20H22N8O5/c1-12-11-15(29)22-20(21-12)28-8-6-27(7-9-28)16(30)5-4-13-17(31)23-19(26-25-13)24-18(32)14-3-2-10-33-14/h2-3,10-11H,4-9H2,1H3,(H,21,22,29)(H2,23,24,26,31,32)
C20H22N8O5454.43932100
1234

Advertisement