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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 41 results

Search term: C21H37NO6 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
96848
InChI=1/C8H15NO2.C8H14O2.C5H8O2/c1-7(2)8(10)11-6-5-9(3)4;1-4-5-6-10-8(9)7(2)3;1-4(2)5(6)7-3/h1,5-6H2,2-4H3;2,4-6H2,1,3H3;1H2,2-3H3
C21H37NO6399.52158174100
64891897

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H37NO6/c1-16(2)27-12-10-26-15-19(23)14-22(4)17(3)18-7-8-20(21(13-18)25-6)28-11-9-24-5/h7-8,13,16-17,19,23H,9-12,14-15H2,1-6H3
C21H37NO6399.52166600
28639185

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H37NO6/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/h7,9,18H,4-6,8,10-17H2,1-3H3,(H-,23,24,25,26)/b9-7-
C21H37NO6399.52164500
30274781

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H37NO6/c1-15(18-11-6-8-12-22(18)20(24)28-21(3,4)5)27-19(23)16(2)26-14-17-10-7-9-13-25-17/h15-18H,6-14H2,1-5H3
C21H37NO6399.52163100
9318925

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H37NO6/c1-20(2,3)27-17(23)14-22(19(25)28-21(4,5)6)16(18(24)26-7)13-15-11-9-8-10-12-15/h15-16H,8-14H2,1-7H3/t16-/m1/s1
C21H37NO6399.52163100
4950603

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H33NO2.C4H4O4/c19-16(13-18-15-9-5-4-6-10-15)14-20-17-11-7-2-1-3-8-12-17;5-3(6)1-2-4(7)8/h15-19H,1-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
C21H37NO6399.52163300
9200941

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H37NO6/c1-20(2,3)26-18(24)22(28-19(25)27-21(4,5)6)15-11-10-13-16-12-8-7-9-14-17(16)23/h16H,7-15H2,1-6H3
C21H37NO6399.52163200
9222805

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H37NO6/c1-20(2,3)26-18(24)22(28-19(25)27-21(4,5)6)15-11-7-8-12-16-13-9-10-14-17(16)23/h16H,7-15H2,1-6H3
C21H37NO6399.52162100
9244543

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H37NO6/c1-19(2,3)16(24)22-13-10-14(27-17(25)20(4,5)6)15(12(13)11-23)28-18(26)21(7,8)9/h12-15,23H,10-11H2,1-9H3,(H,22,24)/t12-,13+,14+,15+/m0/s1
C21H37NO6399.52162100
9287265

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H37NO6/c1-20(2,3)26-18(24)22(28-19(25)27-21(4,5)6)15-11-13-16-12-9-7-8-10-14-17(16)23/h16H,7-15H2,1-6H3
C21H37NO6399.52162100
5099520

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H37NO6/c1-4-27-21-17(7-9-25-11-12-26-10-8-23)18(15(2)3)13-19(28-21)20(24)22-14-16-5-6-16/h13,15-18,21,23H,4-12,14H2,1-3H3,(H,22,24)/t17-,18-,21-/m0/s1
C21H37NO6399.52162100
5103373

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H37NO6/c1-4-27-21-17(7-9-25-11-12-26-10-8-23)18(15(2)3)13-19(28-21)20(24)22-14-16-5-6-16/h13,15-18,21,23H,4-12,14H2,1-3H3,(H,22,24)/t17-,18-,21-/m1/s1
C21H37NO6399.52162100
5104023

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H37NO6/c1-4-27-21-17(7-9-25-11-12-26-10-8-23)18(15(2)3)13-19(28-21)20(24)22-14-16-5-6-16/h13,15-18,21,23H,4-12,14H2,1-3H3,(H,22,24)/t17-,18+,21+/m0/s1
C21H37NO6399.52162100
9969901

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C21H37NO6/c1-6-22(7-2)12-13-24-17-20(5,23)16-9-8-14(3)15-10-11-19(4)26-18(25-17)21(15,16)28-27-19/h14-18,23H,6-13H2,1-5H3/t14-,15?,16?,17-,18-,19-,20+,21-/m1/s1
C21H37NO6399.52162100
10000166

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H37NO6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(28-17(2)23)20(24)19(22-26)21(25)27-3/h18,26H,4-16H2,1-3H3/b22-19+
C21H37NO6399.52162100
10176404

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H37NO6/c1-12-14(2)13-15(16(23)26-19(3,4)5)22(17(24)27-20(6,7)8)18(25)28-21(9,10)11/h12,14-15H,1,13H2,2-11H3/t14-,15+/m1/s1
C21H37NO6399.52162100
23334254

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H37NO6/c1-5-6-10-22-17(24)11-14(3)18(25)21-20(27)19(26)16(12-28-21)9-7-8-13(2)15(4)23/h7-8,11,13,15-16,18-21,23,25-27H,5-6,9-10,12H2,1-4H3,(H,22,24)/b8-7+,14-11+/t13-,15+,16+,18-,19-,20-,21+/m1/s1
C21H37NO6399.52162200
23334255

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H37NO6/c1-6-22(7-2)17(24)11-14(4)18(25)21-20(27)19(26)16(12-28-21)10-8-9-13(3)15(5)23/h8-9,11,13,15-16,18-21,23,25-27H,6-7,10,12H2,1-5H3/b9-8+,14-11+/t13-,15+,16+,18-,19-,20-,21+/m1/s1
C21H37NO6399.52162200
58909486

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H37NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(23)20(26)22-17(21(27)28)15-16-19(24)25/h17H,2-16H2,1H3,(H,22,26)(H,24,25)(H,27,28)/t17-/m0/s1
C21H37NO6399.52162200
4324986

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H37NO6/c1-4-27-21-17(7-9-25-11-12-26-10-8-23)18(15(2)3)13-19(28-21)20(24)22-14-16-5-6-16/h13,15-18,21,23H,4-12,14H2,1-3H3,(H,22,24)
C21H37NO6399.521582100
123

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