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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 85 results

Search term: C22H21N5O3 (Found by synonym)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
579133

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H21N5O3/c1-14-12-26(15-8-10-17(11-9-15)30-16-6-4-3-5-7-16)21-23-19-18(27(21)13-14)20(28)24-22(29)25(19)2/h3-11,14H,12-13H2,1-2H3,(H,24,28,29)
C22H21N5O3403.4338253300
2225925

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H21N5O3/c1-10-8-21(3,4)27-17-13(10)6-12(29-5)7-14(17)22(20(27)28)15(9-23)18(24)30-19-16(22)11(2)25-26-19/h6-8H,24H2,1-5H3,(H,25,26)
C22H21N5O3403.43384242900
1430710

Double-bond stereo
InChI=1/C22H21N5O3/c23-14-16(21(28)24-15-17-7-6-12-30-17)13-18-20(26-9-3-1-4-10-26)25-19-8-2-5-11-27(19)22(18)29/h2,5-8,11-13H,1,3-4,9-10,15H2,(H,24,28)/b16-13+
C22H21N5O3403.4338182100
1015727
InChI=1/C22H21N5O3/c1-4-16-17(14-9-6-5-7-10-14)26(13-15-11-8-12-30-15)21-23-19-18(27(16)21)20(28)25(3)22(29)24(19)2/h5-12H,4,13H2,1-3H3
C22H21N5O3403.4338181900
1119991
InChI=1/C22H21N5O3/c1-3-30-15-9-10-18-16(12-15)13(2)23-21(24-18)27-22-25-19(28)17(20(29)26-22)11-14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3,(H3,23,24,25,26,27,28,29)
C22H21N5O3403.4338182100
1470959
InChI=1/C22H21N5O3/c1-4-11-24-22(28)18-19-21(26-15-8-6-5-7-14(15)25-19)27(20(18)23)16-10-9-13(29-2)12-17(16)30-3/h4-10,12H,1,11,23H2,2-3H3,(H,24,28)
C22H21N5O3403.4338161800
1457838
InChI=1/C22H21N5O3/c1-3-12-24-21(28)17-18-20(26-16-7-5-4-6-15(16)25-18)27(19(17)23)14-10-8-13(9-11-14)22(29)30-2/h4-11H,3,12,23H2,1-2H3,(H,24,28)
C22H21N5O3403.4338151600
1470253
InChI=1/C22H21N5O3/c1-4-11-24-22(28)18-19-21(26-15-8-6-5-7-14(15)25-19)27(20(18)23)13-9-10-16(29-2)17(12-13)30-3/h4-10,12H,1,11,23H2,2-3H3,(H,24,28)
C22H21N5O3403.4338151700
2406762

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H21N5O3/c1-13(28)27-7-6-15-17(9-23)21(26)22(11-24,12-25)20(18(15)10-27)16-8-14(29-2)4-5-19(16)30-3/h4-6,8,18,20H,7,10,26H2,1-3H3
C22H21N5O3403.4338141600
2510363
InChI=1/C22H21N5O3/c1-2-3-12-24-21(28)17-18-20(26-16-7-5-4-6-15(16)25-18)27(19(17)23)14-10-8-13(9-11-14)22(29)30/h4-11H,2-3,12,23H2,1H3,(H,24,28)(H,29,30)
C22H21N5O3403.4338141500
3184871
InChI=1/C22H21N5O3/c1-14-12-20(23-15(2)28)27(25-14)22-24-18-6-4-5-7-19(18)26(22)13-16-8-10-17(11-9-16)21(29)30-3/h4-12H,13H2,1-3H3,(H,23,28)
C22H21N5O3403.4338141500
1487957
InChI=1/C22H21N5O3/c1-29-16-10-9-13(11-17(16)30-2)27-20(23)18(22(28)24-12-7-8-12)19-21(27)26-15-6-4-3-5-14(15)25-19/h3-6,9-12H,7-8,23H2,1-2H3,(H,24,28)
C22H21N5O3403.4338131400
1500400
InChI=1/C22H21N5O3/c1-2-3-11-24-21(28)17-18-20(26-16-10-5-4-9-15(16)25-18)27(19(17)23)14-8-6-7-13(12-14)22(29)30/h4-10,12H,2-3,11,23H2,1H3,(H,24,28)(H,29,30)
C22H21N5O3403.4338131400
926091

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H21N5O3/c1-13(28)27-7-6-15-17(9-23)21(26)22(11-24,12-25)20(18(15)10-27)16-8-14(29-2)4-5-19(16)30-3/h4-6,8,18,20H,7,10,26H2,1-3H3/t18-,20+/m0/s1
C22H21N5O3403.4338131400
1176757
InChI=1/C22H21N5O3/c1-13(2)12-26-21-18(11-16-9-14(3)7-8-19(16)23-21)20(25-26)24-22(28)15-5-4-6-17(10-15)27(29)30/h4-11,13H,12H2,1-3H3,(H,24,25,28)
C22H21N5O3403.4338121600
1179339
InChI=1/C22H21N5O3/c1-13(2)12-26-21-18(11-16-6-4-5-14(3)19(16)23-21)20(25-26)24-22(28)15-7-9-17(10-8-15)27(29)30/h4-11,13H,12H2,1-3H3,(H,24,25,28)
C22H21N5O3403.4338121400
1179446
InChI=1/C22H21N5O3/c1-13(2)12-26-21-18(11-16-5-4-14(3)10-19(16)23-21)20(25-26)24-22(28)15-6-8-17(9-7-15)27(29)30/h4-11,13H,12H2,1-3H3,(H,24,25,28)
C22H21N5O3403.4338121400
2984994
InChI=1/C22H21N5O3/c1-3-4-10-26-21-18(13-16-11-14(2)8-9-19(16)23-21)20(25-26)24-22(28)15-6-5-7-17(12-15)27(29)30/h5-9,11-13H,3-4,10H2,1-2H3,(H,24,25,28)
C22H21N5O3403.43384121600
1517069
InChI=1/C22H21N5O3/c1-2-29-11-6-10-26-14-23-20-18(22(26)28)19-21(27(20)13-15-7-5-12-30-15)25-17-9-4-3-8-16(17)24-19/h3-5,7-9,12,14H,2,6,10-11,13H2,1H3
C22H21N5O3403.4338111100
2592110

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H21N5O3/c1-3-12(2)24-22(28)18-19-21(26-15-7-5-4-6-14(15)25-19)27(20(18)23)13-8-9-16-17(10-13)30-11-29-16/h4-10,12H,3,11,23H2,1-2H3,(H,24,28)
C22H21N5O3403.4338101000
12345

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