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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 1485 results

Search term: C21H22ClNO4 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
66148

Charge
InChI=1/C21H22NO4.ClH/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4;/h5-6,9-12H,7-8H2,1-4H3;1H/q+1;/p-1
C21H22ClNO4387.85677410400
4735560

Double-bond stereo
InChI=1/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+
C21H22ClNO4387.85676411867281372
4576347

Double-bond stereo
InChI=1/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14-
C21H22ClNO4387.8567567900
77841

Double-bond stereo
InChI=1/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3
C21H22ClNO4387.8567293600
2392219
InChI=1/C21H22ClNO4/c1-5-11-26-20(24)17-13(3)23-14(4)18(21(25)27-12-6-2)19(17)15-9-7-8-10-16(15)22/h5-10,19,23H,1-2,11-12H2,3-4H3
C21H22ClNO4387.85668283400
852385
InChI=1/C21H22ClNO4/c22-16-5-4-8-19(13-16)26-14-20(24)23-17-11-9-15(10-12-17)21(25)27-18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,14H2,(H,23,24)
C21H22ClNO4387.8567262900
3321201
InChI=1/C21H22ClNO4/c1-5-10-26-20(24)17-13(3)23-14(4)18(21(25)27-11-6-2)19(17)15-8-7-9-16(22)12-15/h5-9,12,19,23H,1-2,10-11H2,3-4H3
C21H22ClNO4387.8567233000
854264
InChI=1/C21H22ClNO4/c22-16-8-12-18(13-9-16)26-14-20(24)23-17-10-6-15(7-11-17)21(25)27-19-4-2-1-3-5-19/h6-13,19H,1-5,14H2,(H,23,24)
C21H22ClNO4387.8567222300
2247106

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H22ClNO4/c1-12-19-17(23-20(12)21(25)27-11-14-5-4-8-26-14)9-13(10-18(19)24)15-6-2-3-7-16(15)22/h2-3,6-7,13-14,23H,4-5,8-11H2,1H3
C21H22ClNO4387.85668212400
2256462

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H22ClNO4/c1-12-19-17(23-20(12)21(25)27-11-16-3-2-8-26-16)9-14(10-18(19)24)13-4-6-15(22)7-5-13/h4-7,14,16,23H,2-3,8-11H2,1H3
C21H22ClNO4387.85668212400
2257743
InChI=1/C21H22ClNO4/c1-15-6-2-3-7-19(15)25-11-4-10-23-18-9-8-16(22)14-17(18)21(20(23)24)26-12-5-13-27-21/h2-3,6-9,14H,4-5,10-13H2,1H3
C21H22ClNO4387.85668212600
2176620

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22ClNO4/c1-14-11-12-17(13-18(14)22)23-19(24)9-6-10-20(25)27-15(2)21(26)16-7-4-3-5-8-16/h3-5,7-8,11-13,15H,6,9-10H2,1-2H3,(H,23,24)
C21H22ClNO4387.85668212600
2186151

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22ClNO4/c1-13(2)19(23-20(25)16-8-10-17(22)11-9-16)21(26)27-12-18(24)15-6-4-14(3)5-7-15/h4-11,13,19H,12H2,1-3H3,(H,23,25)
C21H22ClNO4387.85668202100
915111
InChI=1/C21H22ClNO4/c1-23-13-5-3-7-15(24)19(13)18(20-14(23)6-4-8-16(20)25)11-9-12(22)21(26)17(10-11)27-2/h9-10,18,26H,3-8H2,1-2H3
C21H22ClNO4387.8567202200
2154207

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22ClNO4/c1-26-18-8-5-15(12-19(18)27-2)9-10-23-20(24)13-16(21(23)25)11-14-3-6-17(22)7-4-14/h3-8,12,16H,9-11,13H2,1-2H3
C21H22ClNO4387.85668192100
11993669

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22ClNO4/c1-13-10-14(2)19-18(11-13)21(26,12-15(3)24)20(25)23(19)8-9-27-17-6-4-16(22)5-7-17/h4-7,10-11,26H,8-9,12H2,1-3H3
C21H22ClNO4387.8567192400
12247812

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22ClNO4/c1-14-10-19(11-15(2)20(14)22)27-16(3)21(24)23(12-17-6-4-8-25-17)13-18-7-5-9-26-18/h4-11,16H,12-13H2,1-3H3
C21H22ClNO4387.8567182200
4100973

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22ClNO4/c22-16-9-5-15(6-10-16)21(26)23-19(13-20(24)25)14-7-11-18(12-8-14)27-17-3-1-2-4-17/h5-12,17,19H,1-4,13H2,(H,23,26)(H,24,25)
C21H22ClNO4387.85668181900
3128243
InChI=1/C21H22ClNO4/c22-16-8-11-18(21(25)26)19(12-16)23-20(24)13-27-17-9-6-15(7-10-17)14-4-2-1-3-5-14/h6-12,14H,1-5,13H2,(H,23,24)(H,25,26)
C21H22ClNO4387.8567181900
2260293
InChI=1/C21H22ClNO4/c1-13-8-19-16(11-17(13)22)15(12-27-19)10-21(24)23-7-6-14-4-5-18(25-2)20(9-14)26-3/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,23,24)
C21H22ClNO4387.85668182100
12345

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