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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 47 results

Search term: C21H39NO6 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4942874

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19+,21+/m1/s1
C21H39NO6401.5375657600
11654743

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+
C21H39NO6401.5375202500
4876685

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19+,21-/m1/s1
C21H39NO6401.53758600
4943690

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,11-12,14,17-19,23-26H,2-8,10,13,15-16,22H2,1H3,(H,27,28)/b12-9+,14-11+/t17-,18-,19+,21+/m1/s1
C21H39NO6401.53757700
4943886

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H39NO6/c1-3-4-5-10-13-16(23)14-11-8-6-7-9-12-15-17(24)18(25)19(26)21(2,22)20(27)28/h12,15,17-19,24-26H,3-11,13-14,22H2,1-2H3,(H,27,28)/b15-12+
C21H39NO6401.53756500
9113495

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H39NO6/c1-3-4-5-10-13-16(23)14-11-8-6-7-9-12-15-17(24)18(25)19(26)21(2,22)20(27)28/h12,15,17-19,24-26H,3-11,13-14,22H2,1-2H3,(H,27,28)/b15-12+/t17-,18+,19-,21-/m0/s1
C21H39NO6401.53756600
21470216

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19+,21+/m0/s1
C21H39NO6401.53755700
21467337

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19+,21?/m0/s1
C21H39NO6401.53754200
28577044

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H39NO6/c1-2-28-21(27)17-19(24)22-18(14-10-6-4-8-12-16-23)13-9-5-3-7-11-15-20(25)26/h18,23H,2-17H2,1H3,(H,22,24)(H,25,26)
C21H39NO6401.53754400
28639187

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H39NO6/c1-22(2,3)17-18(16-20(25)26)28-21(27)15-13-11-9-7-5-4-6-8-10-12-14-19(23)24/h18H,4-17H2,1-3H3,(H-,23,24,25,26)
C21H39NO6401.53754500
435187

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C21H39NO6/c1-8-25-16(23)12-15(22-14(4)11-9-10-13(2)3)17-18(24-7)19-20(26-17)28-21(5,6)27-19/h13-15,17-20,22H,8-12H2,1-7H3/t14?,15?,17-,18+,19-,20-/m1/s1
C21H39NO6401.53754300
219394

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H39NO6/c1-6-11-13-17(8-3)19(23)27-15-21(10-5,22(25)26)16-28-20(24)18(9-4)14-12-7-2/h17-18H,6-16H2,1-5H3
C21H39NO6401.53753200
266093

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)
C21H39NO6401.53753200
64854311

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H34O5.CH5NO/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;1-3-2/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);2H2,1H3/b7-4-,13-12+;/t15-,16+,17+,18-,19+;/m0./s1
C21H39NO6401.53753400
88297483

Charge

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H34O5.CH6NO/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;1-3-2/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);1-2H3/q;+1/p-1/b7-4+,13-12+;/t15-,16-,17+,18+,19+;/m1./s1
C21H39NO6401.53753200
9200984

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C21H39NO6/c22-9-10-24-17-15-27-20-7-3-1-5-18(20)25-13-11-23-12-14-26-19-6-2-4-8-21(19)28-16-17/h17-21H,1-16,22H2
C21H39NO6401.53753200
24823219

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19-,21+/m1/s1
C21H39NO6401.53753300
9048378
InChI=1/C21H39NO6/c1-19(2,3)26-16(23)10-13-22(14-11-17(24)27-20(4,5)6)15-12-18(25)28-21(7,8)9/h10-15H2,1-9H3
C21H39NO6401.53753100
9340629

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H39NO6/c1-6-7-8-9-10-12-22-14(11-13-23)15-16-17(26-20(2,3)25-16)18-19(24-15)28-21(4,5)27-18/h14-19,22-23H,6-13H2,1-5H3/t14-,15+,16-,17-,18+,19+/m0/s1
C21H39NO6401.53752100
8820111

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H39NO6/c1-3-5-6-7-8-9-10-11-12-13-14-22(17(24)4-2)21-20(27)19(26)18(25)16(15-23)28-21/h4,16,18-21,23,25-27H,2-3,5-15H2,1H3/t16-,18-,19+,20-,21-/m1/s1
C21H39NO6401.53752100
123

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