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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
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 108 results

Search term: C21H19N3O3 (Found by synonym)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
981483
InChI=1/C21H19N3O3/c1-13-16-11-7-8-12-17(16)27-19(13)20(25)22-18-14(2)23(3)24(21(18)26)15-9-5-4-6-10-15/h4-12H,1-3H3,(H,22,25)
C21H19N3O3361.3939283500
1067947
InChI=1/C21H19N3O3/c25-20-12-11-18(24(26)27)15-19(20)21-22(16-7-3-1-4-8-16)13-14-23(21)17-9-5-2-6-10-17/h1-12,15,21,25H,13-14H2
C21H19N3O3361.3939273400
895382
InChI=1/C21H19N3O3/c1-13(2)11-23-18(22-17-10-6-5-9-16(17)21(23)27)12-24-19(25)14-7-3-4-8-15(14)20(24)26/h3-10,13H,11-12H2,1-2H3
C21H19N3O3361.3939273000
352047
InChI=1/C21H19N3O3/c1-3-24(4-2)16-11-10-15-12-17(21(25)26-18(15)13-16)20-23-22-19(27-20)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
C21H19N3O3361.3939273200
1479264
InChI=1/C21H19N3O3/c1-2-3-12-23-18(22-17-11-7-6-10-16(17)21(23)27)13-24-19(25)14-8-4-5-9-15(14)20(24)26/h4-11H,2-3,12-13H2,1H3
C21H19N3O3361.3939252900
568286
InChI=1/C21H19N3O3/c1-13-8-10-14(11-9-13)19-18-16(22(2)21(27)23(3)20(18)26)12-24(19)15-6-4-5-7-17(15)25/h4-12,25H,1-3H3
C21H19N3O3361.3939192100
1503598
InChI=1/C21H19N3O3/c1-13-22-20-18(19(25)16-6-4-5-7-17(16)23(20)2)21(26)24(13)12-14-8-10-15(27-3)11-9-14/h4-11H,12H2,1-3H3
C21H19N3O3361.3939192000
1507070
InChI=1/C21H19N3O3/c1-14-6-5-9-19(22-14)24-21(26)17-7-3-4-8-18(17)23-20(25)15-10-12-16(27-2)13-11-15/h3-13H,1-2H3,(H,23,25)(H,22,24,26)
C21H19N3O3361.3939192200
574927
InChI=1/C21H19N3O3/c1-22-17-13-24(15-7-5-4-6-8-15)19(14-9-11-16(27-3)12-10-14)18(17)20(25)23(2)21(22)26/h4-13H,1-3H3
C21H19N3O3361.3939181900
559249

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H19N3O3/c25-20(10-14-12-23-18-8-4-2-6-16(14)18)24-19(21(26)27)9-13-11-22-17-7-3-1-5-15(13)17/h1-8,11-12,19,22-23H,9-10H2,(H,24,25)(H,26,27)/t19-/m0/s1
C21H19N3O3361.3939181900
577232
InChI=1/C21H19N3O3/c22-14-19-21(24-10-12-25-13-11-24)27-20(23-19)17-6-8-18(9-7-17)26-15-16-4-2-1-3-5-16/h1-9H,10-13,15H2
C21H19N3O3361.3939171800
580156

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H19N3O3/c25-18-21(19(26)24(20(27)22-18)15-8-2-1-3-9-15)13-14-7-4-5-10-16(14)23-12-6-11-17(21)23/h1-5,7-10,17H,6,11-13H2,(H,22,25,27)
C21H19N3O3361.3939172200
924905
InChI=1/C21H19N3O3/c1-22-17-13-24(15-9-11-16(27-3)12-10-15)19(14-7-5-4-6-8-14)18(17)20(25)23(2)21(22)26/h4-13H,1-3H3
C21H19N3O3361.3939171700
1103996
InChI=1/C21H19N3O3/c1-22-16-13-24(15-11-7-8-12-17(15)27-3)19(14-9-5-4-6-10-14)18(16)20(25)23(2)21(22)26/h4-13H,1-3H3
C21H19N3O3361.3939171900
1471846
InChI=1/C21H19N3O3/c1-27-17-13-11-16(12-14-17)23-20(25)21(26)24-19-10-6-5-9-18(19)22-15-7-3-2-4-8-15/h2-14,22H,1H3,(H,23,25)(H,24,26)
C21H19N3O3361.3939172000
578887
InChI=1/C21H19N3O3/c1-22-17-13-24(15-10-7-11-16(12-15)27-3)19(14-8-5-4-6-9-14)18(17)20(25)23(2)21(22)26/h4-13H,1-3H3
C21H19N3O3361.3939161800
580442

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H19N3O3/c1-13-20(14-6-3-2-4-7-14)21(24-23-13)22-12-16-17(25)10-15(11-18(16)26)19-8-5-9-27-19/h2-9,12,15H,10-11H2,1H3,(H2,22,23,24)/b16-12-
C21H19N3O3361.3939151700
578050
InChI=1/C21H19N3O3/c1-13-7-6-8-14(11-13)19-18-16(22(2)21(27)23(3)20(18)26)12-24(19)15-9-4-5-10-17(15)25/h4-12,25H,1-3H3
C21H19N3O3361.3939151600
577086
InChI=1/C21H19N3O3/c1-13-5-4-6-14(11-13)19-18-17(22(2)21(27)23(3)20(18)26)12-24(19)15-7-9-16(25)10-8-15/h4-12,25H,1-3H3
C21H19N3O3361.3939151500
1481568

Double-bond stereo
InChI=1/C21H19N3O3/c1-26-19-8-4-5-9-20(19)27-11-10-24-14-16(12-15(13-22)21(23)25)17-6-2-3-7-18(17)24/h2-9,12,14H,10-11H2,1H3,(H2,23,25)/b15-12+
C21H19N3O3361.3939131500
12345

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