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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 7121 results

Search term: C21H23NO5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
89017


InChI=1/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3
C21H23NO5369.41110117373
5378838

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H23NO5/c1-21(2,3)27-20(26)22-17(19(24)25)13-14-9-11-16(12-10-14)18(23)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,22,26)(H,24,25)/t17-/m0/s1
C21H23NO5369.411764700
5382849

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H23NO5/c1-21(2,3)27-20(26)22-17(19(24)25)13-14-9-11-16(12-10-14)18(23)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,22,26)(H,24,25)/t17-/m1/s1
C21H23NO5369.411653900
65491

InChI=1/C21H23NO5/c1-22-7-6-14-9-19(24-2)20(25-3)10-15(14)17(23)8-13-4-5-18-21(16(13)11-22)27-12-26-18/h4-5,9-10H,6-8,11-12H2,1-3H3
C21H23NO5369.411578000
4575379


5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1
C21H23NO5369.411541219840229
2386606

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H23NO5/c1-14-2-4-15(5-3-14)10-17(21(24)25)12-20(23)22-9-8-16-6-7-18-19(11-16)27-13-26-18/h2-7,11,17H,8-10,12-13H2,1H3,(H,22,23)(H,24,25)
C21H23NO5369.41102443700
32674346

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H23NO5/c1-12(2)19(23)18(20(24)25)22-21(26)27-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-19,23H,11H2,1-2H3,(H,22,26)(H,24,25)/t18-,19+/m0/s1
C21H23NO5369.411363000
144306

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H23NO5/c1-22-9-14-12(4-5-16(24-2)21(14)25-3)19-15(23)6-11-7-17-18(27-10-26-17)8-13(11)20(19)22/h4-5,7-8,15,19-20,23H,6,9-10H2,1-3H3/t15-,19-,20+/m0/s1
C21H23NO5369.411302700
3077425

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H23NO5/c1-13-4-7-15(8-5-13)22-19(23)11-9-16(21(24)25)20(22)14-6-10-17(26-2)18(12-14)27-3/h4-8,10,12,16,20H,9,11H2,1-3H3,(H,24,25)
C21H23NO5369.411291900
29312284

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H23NO5/c1-12(2)19(23)18(20(24)25)22-21(26)27-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-19,23H,11H2,1-2H3,(H,22,26)(H,24,25)/t18-,19+/m1/s1
C21H23NO5369.411292000
26951094

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H23NO5/c23-12-6-5-11-19(20(24)25)22-21(26)27-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19,23H,5-6,11-13H2,(H,22,26)(H,24,25)/t19-/m0/s1
C21H23NO5369.411282100
538170

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H23NO5/c1-11-17(20(24)25-4)18(12-5-6-15-16(7-12)27-10-26-15)19-13(22-11)8-21(2,3)9-14(19)23/h5-7,18,22H,8-10H2,1-4H3
C21H23NO5369.411272100
923312
InChI=1/C21H23NO5/c1-13-20(21(23)24)16-12-15(25-2)6-7-17(16)22(13)10-9-14-5-8-18(26-3)19(11-14)27-4/h5-8,11-12H,9-10H2,1-4H3,(H,23,24)
C21H23NO5369.411261400
1403990
InChI=1/C21H23NO5/c1-3-14-26-21(25)16-6-8-17(9-7-16)22-19(23)12-13-20(24)27-18-10-4-15(2)5-11-18/h4-11H,3,12-14H2,1-2H3,(H,22,23)
C21H23NO5369.411261600
2413206
InChI=1/C21H23NO5/c1-24-18-10-4-5-11-19(18)25-13-6-12-22-17-9-3-2-8-16(17)21(20(22)23)26-14-7-15-27-21/h2-5,8-11H,6-7,12-15H2,1H3
C21H23NO5369.411261400
1695504
InChI=1/C21H23NO5/c1-3-25-20(23)19(21(24)26-4-2)14-22-17-10-12-18(13-11-17)27-15-16-8-6-5-7-9-16/h5-14,22H,3-4,15H2,1-2H3
C21H23NO5369.411251700
1269201

Double-bond stereo
InChI=1/C21H23NO5/c1-3-26-14-15-27-21(24)17-7-9-18(10-8-17)22-20(23)13-6-16-4-11-19(25-2)12-5-16/h4-13H,3,14-15H2,1-2H3,(H,22,23)/b13-6+
C21H23NO5369.411251500
1289356

Double-bond stereo
InChI=1/C21H23NO5/c1-4-13-27-21(24)16-7-9-17(10-8-16)22-20(23)12-6-15-5-11-18(25-2)19(14-15)26-3/h5-12,14H,4,13H2,1-3H3,(H,22,23)/b12-6+
C21H23NO5369.411251900
1170576
InChI=1/C21H23NO5/c1-4-22(5-2)12-15-16(23)11-10-14-20(24)19(13-26-21(14)15)27-18-9-7-6-8-17(18)25-3/h6-11,13,23H,4-5,12H2,1-3H3
C21H23NO5369.411242000
2909227

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H23NO5/c1-22-9-8-14-10-18-20(27-12-26-18)21(25-3)19(14)16(22)11-17(23)13-4-6-15(24-2)7-5-13/h4-7,10,16H,8-9,11-12H2,1-3H3
C21H23NO5369.41102241800
12345

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