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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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Isotopically Labeled
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Found 3526 results

Search term: C20H29N3O5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4938710

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H25N3O.C4H4O4/c1-3-16(20)19(15-9-5-6-10-17-15)14(2)13-18-11-7-4-8-12-18;5-3(6)1-2-4(7)8/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
C20H29N3O5391.4614253600
34982379

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H29N3O5/c1-20(2,3)28-18(24)22-11-9-21(10-12-22)13-17-14-23(19(25)27-17)15-5-7-16(26-4)8-6-15/h5-8,17H,9-14H2,1-4H3
C20H29N3O5391.4614232800
2935644
InChI=1/C20H29N3O5/c1-2-3-4-5-6-7-8-13-17(24)22-23-19(26)14-18(25)21-16-12-10-9-11-15(16)20(27)28/h9-12H,2-8,13-14H2,1H3,(H,21,25)(H,22,24)(H,23,26)(H,27,28)
C20H29N3O5391.46136171100
2472404
InChI=1/C20H29N3O5/c1-19(2,3)22-16(24)12-23(20(4,5)6)18(26)17(25)21-13-7-8-14-15(11-13)28-10-9-27-14/h7-8,11H,9-10,12H2,1-6H3,(H,21,25)(H,22,24)
C20H29N3O5391.461415900
3989445
InChI=1/C20H29N3O5/c1-13(2)28-16-10-9-15(11-17(16)27-3)20(26)23-22-18(24)12-21-19(25)14-7-5-4-6-8-14/h9-11,13-14H,4-8,12H2,1-3H3,(H,21,25)(H,22,24)(H,23,26)
C20H29N3O5391.4614151100
12537256

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H29N3O5/c1-5-17(20(26)28-7-3)14(4)22-23-19(25)13-12-18(24)21-15-8-10-16(11-9-15)27-6-2/h8-11,17H,5-7,12-13H2,1-4H3,(H,21,24)(H,23,25)/b22-14-
C20H29N3O5391.461415900
4603739

Double-bond stereo
InChI=1/C20H29N3O5/c1-14-10-11-17(16(12-14)23(25)26)27-13-18(20(2,3)4)22-28-19(24)21-15-8-6-5-7-9-15/h10-12,15H,5-9,13H2,1-4H3,(H,21,24)/b22-18-
C20H29N3O5391.4614141800
2155748
InChI=1/C18H27N3O.C2H2O4/c22-18(8-7-16-4-1-2-5-16)21-12-10-20(11-13-21)15-17-6-3-9-19-14-17;3-1(4)2(5)6/h3,6,9,14,16H,1-2,4-5,7-8,10-13,15H2;(H,3,4)(H,5,6)
C20H29N3O5391.46136141200
4987382
InChI=1/C20H29N3O5/c1-26-17-4-3-15(13-18(17)27-2)14-19(24)21-16-5-7-22(8-6-16)20(25)23-9-11-28-12-10-23/h3-4,13,16H,5-12,14H2,1-2H3,(H,21,24)
C20H29N3O5391.461413600
7882734

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H29N3O5/c1-5-17(20(26)28-7-3)14(4)22-23-19(25)13-12-18(24)21-15-8-10-16(11-9-15)27-6-2/h8-11,17H,5-7,12-13H2,1-4H3,(H,21,24)(H,23,25)/b22-14+
C20H29N3O5391.461413700
23081273

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H29N3O5/c1-3-27-19(25)13-28-16-11-9-15(10-12-16)22-18(24)8-6-4-5-7-17-14(2)21-20(26)23-17/h9-12,14,17H,3-8,13H2,1-2H3,(H,22,24)(H2,21,23,26)
C20H29N3O5391.461413900
34498442

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H29N3O5/c1-4-27-20(26)22-9-7-21(8-10-22)18(24)17-14(2)12-15(3)23(19(17)25)13-16-6-5-11-28-16/h12,16H,4-11,13H2,1-3H3
C20H29N3O5391.461413900
3250628

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H29N3O5/c1-14(2)11-16(20(27)28-3)23-19(26)13-22-18(25)12-21-17(24)10-9-15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)
C20H29N3O5391.461412700
17470205

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H29N3O5/c1-12(2)17(11-24)22-19(26)13(3)21-20(27)14-9-18(25)23(10-14)15-5-7-16(28-4)8-6-15/h5-8,12-14,17,24H,9-11H2,1-4H3,(H,21,27)(H,22,26)/t13-,14?,17+/m0/s1
C20H29N3O5391.461412800
7145174
InChI=1/C20H29N3O5/c1-14-5-6-15(19(26)27)16(11-14)28-13-18(25)23-9-7-22(8-10-23)12-17(24)21-20(2,3)4/h5-6,11H,7-10,12-13H2,1-4H3,(H,21,24)(H,26,27)
C20H29N3O5391.461412900
2471885
InChI=1/C20H29N3O5/c1-5-8-21-18(24)13-23-9-6-15(7-10-23)22-20(25)14-11-16(26-2)19(28-4)17(12-14)27-3/h5,11-12,15H,1,6-10,13H2,2-4H3,(H,21,24)(H,22,25)
C20H29N3O5391.461412500
1894110
InChI=1/C20H29N3O5/c1-21-6-3-7-23(9-8-21)20(25)16-4-5-17(18(14-16)26-2)28-15-19(24)22-10-12-27-13-11-22/h4-5,14H,3,6-13,15H2,1-2H3
C20H29N3O5391.461412800
1919358
InChI=1/C20H29N3O5/c1-6-9-20(10-7-2)18(26)23(19(27)22-20)11-14(24)16-12(4)15(13(5)21-16)17(25)28-8-3/h21H,6-11H2,1-5H3,(H,22,27)
C20H29N3O5391.461412800
2492853

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H29N3O5/c1-5-13(2)21-18(24)9-7-6-8-10-23-19(25)14-11-16(27-3)17(28-4)12-15(14)22-20(23)26/h11-13H,5-10H2,1-4H3,(H,21,24)(H,22,26)
C20H29N3O5391.461412900
3122452
InChI=1/C20H29N3O5/c1-14(2)22(15(3)4)19(24)13-28-20(25)16-8-9-17(18(12-16)23(26)27)21-10-6-5-7-11-21/h8-9,12,14-15H,5-7,10-11,13H2,1-4H3
C20H29N3O5391.461411600
12345

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