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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 968 results

Search term: C21H28ClN3O (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2214831

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H28ClN3O/c22-18-2-1-3-19(11-18)24-4-6-25(7-5-24)20(26)23-21-12-15-8-16(13-21)10-17(9-15)14-21/h1-3,11,15-17H,4-10,12-14H2,(H,23,26)
C21H28ClN3O373.91952231300
17579443
InChI=1/C21H28ClN3O/c1-15-18-14-16(22)6-7-19(18)23(2)20(15)21(26)25-12-8-17(9-13-25)24-10-4-3-5-11-24/h6-7,14,17H,3-5,8-13H2,1-2H3
C21H28ClN3O373.9195221500
2175887
InChI=1/C21H27N3O.ClH/c1-18-6-5-9-20(16-18)22-21(25)10-11-23-12-14-24(15-13-23)17-19-7-3-2-4-8-19;/h2-9,16H,10-15,17H2,1H3,(H,22,25);1H
C21H28ClN3O373.91952121100
10845794
InChI=1/C21H27N3O.ClH/c1-17-7-6-8-18(2)21(17)22-15-20(25)24-13-11-23(12-14-24)16-19-9-4-3-5-10-19;/h3-10,22H,11-16H2,1-2H3;1H
C21H28ClN3O373.919511700
22197509

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H28ClN3O/c1-14(2)25-16(4)20(15(3)23-25)13-24-11-5-6-18(12-24)21(26)17-7-9-19(22)10-8-17/h7-10,14,18H,5-6,11-13H2,1-4H3
C21H28ClN3O373.919510900
29769901

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H28ClN3O/c22-18-6-3-8-20-17(18)9-13-25(20)14-10-21(26)23-15-16-5-4-12-24-11-2-1-7-19(16)24/h3,6,8-9,13,16,19H,1-2,4-5,7,10-12,14-15H2,(H,23,26)/t16-,19+/m0/s1
C21H28ClN3O373.919510800
30193080
InChI=1/C21H27N3O.ClH/c1-17-7-9-19(10-8-17)21(25)23-20-6-4-5-18(15-20)16-22-11-14-24-12-2-3-13-24;/h4-10,15,22H,2-3,11-14,16H2,1H3,(H,23,25);1H
C21H28ClN3O373.91959600
6353876
InChI=1/C21H28ClN3O/c1-16(2)13-25(21(26)18-7-3-4-8-18)15-20-23-10-11-24(20)14-17-6-5-9-19(22)12-17/h5-6,9-12,16,18H,3-4,7-8,13-15H2,1-2H3
C21H28ClN3O373.91959700
6380074
InChI=1/C21H28ClN3O/c1-3-10-17-20(21(26)24-14-8-5-9-15-24)19(11-4-2)25(23-17)18-13-7-6-12-16(18)22/h6-7,12-13H,3-5,8-11,14-15H2,1-2H3
C21H28ClN3O373.91959700
23068264

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H28ClN3O/c1-4-9-25-16(3)18(12-23-25)14-24-10-5-6-17(13-24)21(26)20-8-7-19(22)11-15(20)2/h7-8,11-12,17H,4-6,9-10,13-14H2,1-3H3
C21H28ClN3O373.91959800
25957364
InChI=1/C21H27N3O.ClH/c1-21(2,3)19-6-4-18(5-7-19)20(25)24-14-12-23(13-15-24)16-17-8-10-22-11-9-17;/h4-11H,12-16H2,1-3H3;1H
C21H28ClN3O373.91959700
26288096

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H28ClN3O/c1-24-12-6-7-19(24)20(25-13-4-2-3-5-14-25)16-23-21(26)15-17-8-10-18(22)11-9-17/h6-12,20H,2-5,13-16H2,1H3,(H,23,26)
C21H28ClN3O373.91959800
29275103
InChI=1/C21H27N3O.ClH/c1-18-7-9-20(10-8-18)22-21(25)11-12-23-13-15-24(16-14-23)17-19-5-3-2-4-6-19;/h2-10H,11-17H2,1H3,(H,22,25);1H
C21H28ClN3O373.91959600
29769720

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H28ClN3O/c22-18-7-6-16-8-12-25(20(16)14-18)13-9-21(26)23-15-17-4-3-11-24-10-2-1-5-19(17)24/h6-8,12,14,17,19H,1-5,9-11,13,15H2,(H,23,26)/t17-,19+/m0/s1
C21H28ClN3O373.91959700
29344304

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H28ClN3O/c1-2-25-13-5-6-20(25)15-23-21(26)14-18(16-24-11-3-4-12-24)17-7-9-19(22)10-8-17/h3-4,7-12,18,20H,2,5-6,13-16H2,1H3,(H,23,26)
C21H28ClN3O373.91958600
29586716
InChI=1/C21H28ClN3O/c1-23-13-14-24(2)21(16-23)9-11-25(12-10-21)15-17-7-8-20(26-17)18-5-3-4-6-19(18)22/h3-8H,9-16H2,1-2H3
C21H28ClN3O373.91958800
2303026

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H27N3O.ClH/c1-4-15-24-19-10-8-7-9-18(19)22-21(24)20(25)16-11-13-17(14-12-16)23(5-2)6-3;/h7-14,20,25H,4-6,15H2,1-3H3;1H
C21H28ClN3O373.919528300
30400189
InChI=1/C21H28ClN3O/c1-24(2)21-5-3-4-20(22)19(21)15-23-14-17-6-8-18(9-7-17)16-25-10-12-26-13-11-25/h3-9,23H,10-16H2,1-2H3
C21H28ClN3O373.91958600
30400196
InChI=1/C21H28ClN3O/c1-15(2)11-21(26)24-17-8-5-7-16(12-17)13-23-14-18-19(22)9-6-10-20(18)25(3)4/h5-10,12,15,23H,11,13-14H2,1-4H3,(H,24,26)
C21H28ClN3O373.91958600
31063021

Double-bond stereo
InChI=1/C21H28ClN3O/c1-6-24(13-15(2)3)21(26)12-11-19-16(4)23-25(17(19)5)14-18-9-7-8-10-20(18)22/h7-12,15H,6,13-14H2,1-5H3/b12-11+
C21H28ClN3O373.91958900
12345

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