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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 105 results

Search term: C21H21NO6 (Found by synonym)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
571077

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m0/s1
C21H21NO6383.3945344100
1093594
InChI=1/C21H21NO6/c1-5-25-16-8-6-7-9-17(16)28-20-13(2)26-18-12-14(27-21(24)22(3)4)10-11-15(18)19(20)23/h6-12H,5H2,1-4H3
C21H21NO6383.3945212400
1388412
InChI=1/C21H21NO6/c1-11-13-8-15-12-4-2-3-5-16(12)27-18(15)10-17(13)28-21(26)14(11)9-19(23)22-7-6-20(24)25/h8,10H,2-7,9H2,1H3,(H,22,23)(H,24,25)
C21H21NO6383.3945212200
1270323
InChI=1/C21H21NO6/c1-21(2,3)28-20(25)22-11-10-18(23)26-13-8-9-15-14-6-4-5-7-16(14)19(24)27-17(15)12-13/h4-9,12H,10-11H2,1-3H3,(H,22,25)
C21H21NO6383.3945202200
1097713
InChI=1/C21H21NO6/c1-5-16-12(2)17-7-9-18(13(3)20(17)28-21(16)23)27-11-14-10-15(22(24)25)6-8-19(14)26-4/h6-10H,5,11H2,1-4H3
C21H21NO6383.3945192200
1116132
InChI=1/C21H21NO6/c1-4-5-14-11-20(23)28-19-9-13(2)8-18(21(14)19)27-12-15-10-16(22(24)25)6-7-17(15)26-3/h6-11H,4-5,12H2,1-3H3
C21H21NO6383.3945192300
579705
InChI=1/C21H21NO6/c1-5-26-20(23)18-16-12-15(27-21(24)22(2)3)10-11-17(16)28-19(18)13-6-8-14(25-4)9-7-13/h6-12H,5H2,1-4H3
C21H21NO6383.3945192300
1007815
InChI=1/C21H21NO6/c1-3-26-21(25)17-12(2)28-20-14-7-5-4-6-13(14)19-15(18(17)20)10-22(11-27-19)9-8-16(23)24/h4-7H,3,8-11H2,1-2H3,(H,23,24)
C21H21NO6383.3945192500
1009280

Double-bond stereo
InChI=1/C21H21NO6/c1-3-27-21(25)16-7-9-17(10-8-16)22-19(23)14-28-20(24)13-6-15-4-11-18(26-2)12-5-15/h4-13H,3,14H2,1-2H3,(H,22,23)/b13-6+
C21H21NO6383.3945172200
580544

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H21NO6/c1-3-28-19(24)13-22-17-10-5-4-9-16(17)21(26,20(22)25)12-18(23)14-7-6-8-15(11-14)27-2/h4-11,26H,3,12-13H2,1-2H3
C21H21NO6383.3945171900
1386133

Double-bond stereo
InChI=1/C21H21NO6/c1-13(2)11-26-16-6-4-15(5-7-16)20(23)22-17(21(24)25)9-14-3-8-18-19(10-14)28-12-27-18/h3-10,13H,11-12H2,1-2H3,(H,22,23)(H,24,25)/b17-9+
C21H21NO6383.3945161900
1386770

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H21NO6/c1-10-9-27-18-12(3)19-14(7-13(10)18)11(2)15(21(26)28-19)8-17(23)22-6-4-5-16(22)20(24)25/h7,9,16H,4-6,8H2,1-3H3,(H,24,25)/t16-/m1/s1
C21H21NO6383.3945151700
580324

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H21NO6/c1-12(23)18-19(13-8-9-16(27-3)17(10-13)28-4)22(21(25)20(18)24)14-6-5-7-15(11-14)26-2/h5-11,19,24H,1-4H3
C21H21NO6383.3945151700
1390536
InChI=1/C21H21NO6/c1-11-10-27-17-9-18-15(7-14(11)17)12(2)16(21(26)28-18)8-19(23)22-5-3-13(4-6-22)20(24)25/h7,9-10,13H,3-6,8H2,1-2H3,(H,24,25)
C21H21NO6383.3945131300
1390972
InChI=1/C21H21NO6/c1-11-12(6-7-19(23)22-10-20(24)25)21(26)28-17-9-18-15(8-14(11)17)13-4-2-3-5-16(13)27-18/h8-9H,2-7,10H2,1H3,(H,22,23)(H,24,25)
C21H21NO6383.3945131300
1391105
InChI=1/C21H21NO6/c1-10-13-7-15-12-5-3-4-6-16(12)27-20(15)11(2)19(13)28-21(26)14(10)8-17(23)22-9-18(24)25/h7H,3-6,8-9H2,1-2H3,(H,22,23)(H,24,25)
C21H21NO6383.3945131300
1395956
InChI=1/C21H21NO6/c23-19(22-11-5-1-2-8-20(24)25)13-27-14-9-10-16-15-6-3-4-7-17(15)21(26)28-18(16)12-14/h3-4,6-7,9-10,12H,1-2,5,8,11,13H2,(H,22,23)(H,24,25)
C21H21NO6383.3945121200
1155769
InChI=1/C21H21NO6/c1-12-5-6-13-8-15(20(23)22-16(13)7-12)11-28-21(24)14-9-17(25-2)19(27-4)18(10-14)26-3/h5-10H,11H2,1-4H3,(H,22,23)
C21H21NO6383.3945121500
1166193
InChI=1/C21H21NO6/c1-12-6-5-7-13-8-15(20(23)22-18(12)13)11-28-21(24)14-9-16(25-2)19(27-4)17(10-14)26-3/h5-10H,11H2,1-4H3,(H,22,23)
C21H21NO6383.3945111600
1394899

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H21NO6/c1-3-12(2)19(20(24)25)22-18(23)11-27-13-8-9-15-14-6-4-5-7-16(14)21(26)28-17(15)10-13/h4-10,12,19H,3,11H2,1-2H3,(H,22,23)(H,24,25)/t12-,19+/m1/s1
C21H21NO6383.3945111200
12345

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