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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 4463 results

Search term: C21H18N4O2 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
289406

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H18N4O2/c1-13-18-19(14-8-10-16(26-2)11-9-14)17(12-22)20(23)27-21(18)25(24-13)15-6-4-3-5-7-15/h3-11,19H,23H2,1-2H3
C21H18N4O2358.3932524000
2392134

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H18N4O2/c1-13-18-19(17(11-22)20(23)27-21(18)25-24-13)15-8-5-9-16(10-15)26-12-14-6-3-2-4-7-14/h2-10,19H,12,23H2,1H3,(H,24,25)
C21H18N4O2358.39322362600
2392133

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H18N4O2/c1-13-18-19(17(11-22)20(23)27-21(18)25-24-13)15-7-9-16(10-8-15)26-12-14-5-3-2-4-6-14/h2-10,19H,12,23H2,1H3,(H,24,25)
C21H18N4O2358.39322322100
10840619

Double-bond stereo
InChI=1/C21H18N4O2/c1-14-18(20(26)24(22-14)16-9-5-3-6-10-16)13-19-15(2)23-25(21(19)27)17-11-7-4-8-12-17/h3-13,26H,1-2H3/b19-13-
C21H18N4O2358.3932302100
17623449

InChI=1/C21H18N4O2/c22-21-18(4-3-11-24-21)19-13-17(25-27-19)12-15-6-8-16(9-7-15)14-26-20-5-1-2-10-23-20/h1-11,13H,12,14H2,(H2,22,24)
C21H18N4O2358.3932282600
2750455

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H18N4O2/c1-2-26-16-11-7-6-10-14(16)17-15(12-22)20(23)27-21-18(17)19(24-25-21)13-8-4-3-5-9-13/h3-11,17H,2,23H2,1H3,(H,24,25)
C21H18N4O2358.39322281900
3120091
InChI=1/C21H18N4O2/c26-19(14-16-8-3-1-4-9-16)25-21(22-15-18-12-7-13-27-18)23-20(24-25)17-10-5-2-6-11-17/h1-13H,14-15H2,(H,22,23,24)
C21H18N4O2358.3932251900
4488914

Double-bond stereo
InChI=1/C21H18N4O2/c1-2-24-19-9-5-3-7-16(19)17-13-15(11-12-20(17)24)14-22-23-18-8-4-6-10-21(18)25(26)27/h3-14,23H,2H2,1H3/b22-14+
C21H18N4O2358.3932251900
4494932

Double-bond stereo
InChI=1/C21H18N4O2/c1-2-24-20-6-4-3-5-18(20)19-13-15(7-12-21(19)24)14-22-23-16-8-10-17(11-9-16)25(26)27/h3-14,23H,2H2,1H3/b22-14+
C21H18N4O2358.3932251700
4644751

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H18N4O2/c1-14-18(20(26)24(22-14)16-9-5-3-6-10-16)13-19-15(2)23-25(21(19)27)17-11-7-4-8-12-17/h3-13,18H,1-2H3/b19-13+
C21H18N4O2358.3932243000
4826258

Double-bond stereo
InChI=1/C21H18N4O2/c1-14-11-16(15(2)24(14)18-9-6-10-22-13-18)12-19-20(26)25(21(27)23-19)17-7-4-3-5-8-17/h3-13H,1-2H3,(H,23,27)/b19-12+
C21H18N4O2358.3932231400
21436322
InChI=1/C21H16N4O.H2O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15;/h1-5,7,9-12,25H,6,8H2,(H,23,26);1H2
C21H18N4O2358.3932232300
2487479
InChI=1/C21H18N4O2/c1-13-6-5-10-25-18(13)22-19-15(20(25)26)12-17(23(19)2)21(27)24-11-9-14-7-3-4-8-16(14)24/h3-8,10,12H,9,11H2,1-2H3
C21H18N4O2358.3932231300
2496647
InChI=1/C21H18N4O2/c1-23-17(21(27)24-11-9-14-6-2-3-7-15(14)13-24)12-16-19(23)22-18-8-4-5-10-25(18)20(16)26/h2-8,10,12H,9,11,13H2,1H3
C21H18N4O2358.3932231500
1059348
InChI=1/C21H18N4O2/c1-12-8-13(2)20-15(9-12)16(21(26)24-19-10-14(3)27-25-19)11-18(23-20)17-6-4-5-7-22-17/h4-11H,1-3H3,(H,24,25,26)
C21H18N4O2358.3932231700
1092073
InChI=1/C21H18N4O2/c1-15-7-5-6-10-17(15)14-25-12-11-20(23-25)22-21(26)18-13-19(27-24-18)16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,22,23,26)
C21H18N4O2358.3932231600
1098476
InChI=1/C21H18N4O2/c1-27-20-9-5-3-7-18(20)22-21(26)16-12-10-15(11-13-16)14-25-19-8-4-2-6-17(19)23-24-25/h2-13H,14H2,1H3,(H,22,26)
C21H18N4O2358.3932231500
1219669
InChI=1/C21H18N4O2/c1-14-17(12-15-8-4-2-5-9-15)20(27)23-21(22-14)25-19(26)13-18(24-25)16-10-6-3-7-11-16/h2-11,13,24H,12H2,1H3,(H,22,23,27)
C21H18N4O2358.3932232200
2226305
InChI=1/C21H18N4O2/c26-21(15-6-2-1-3-7-15)25-12-10-24(11-13-25)20-19-18(22-14-23-20)16-8-4-5-9-17(16)27-19/h1-9,14H,10-13H2
C21H18N4O2358.39322231600
3075404
InChI=1/C21H18N4O2/c1-14-17(12-15-8-4-2-5-9-15)20(27)25(24-14)21-22-18(13-19(26)23-21)16-10-6-3-7-11-16/h2-11,13,24H,12H2,1H3,(H,22,23,26)
C21H18N4O2358.3932222100
12345

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