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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 34 results

Search term: C22H40N4O6 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21256353
InChI=1/C22H40N4O6/c27-21-3-1-5-25(21)19-23-7-11-29-15-17-31-13-9-24(20-26-6-2-4-22(26)28)10-14-32-18-16-30-12-8-23/h1-20H2
C22H40N4O6456.57626200
114935342
InChI=1/2C11H20N2O3/c2*1-11(2,3)16-10(14)13-6-8-9(7-13)15-5-4-12-8/h2*8-9,12H,4-7H2,1-3H3/t2*8-,9+/m10/s1
C22H40N4O6456.57625500
114935337
InChI=1/2C11H20N2O3/c2*1-11(2,3)16-10(15)13-5-4-12-6-8(13)9(14)7-12/h2*8-9,14H,4-7H2,1-3H3/t2*8-,9-/m10/s1
C22H40N4O6456.57624400
2558016

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H40N4O6/c27-21(19-3-1-5-23-19)25-7-11-29-15-17-31-13-9-26(22(28)20-4-2-6-24-20)10-14-32-18-16-30-12-8-25/h19-20,23-24H,1-18H2
C22H40N4O6456.57624200
34638197
InChI=1/C22H40N4O6/c1-21(2,3)31-19(29)23-11-7-17(27)25-15-16-9-13-26(14-10-16)18(28)8-12-24-20(30)32-22(4,5)6/h16H,7-15H2,1-6H3,(H,23,29)(H,24,30)(H,25,27)
C22H40N4O6456.57623200
9434632

Double-bond stereo
InChI=1/C22H40N4O6/c1-16(15-27)11-14-26(13-10-9-12-23-17(2)28)18(24-19(29)31-21(3,4)5)25-20(30)32-22(6,7)8/h11,27H,9-10,12-15H2,1-8H3,(H,23,28)(H,24,25,29,30)/b16-11-
C22H40N4O6456.57623300
9503519

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H40N4O6/c1-20(2,3)30-16(27)15(25-18(28)31-21(4,5)6)12-13-23-17(24-14-10-11-14)26-19(29)32-22(7,8)9/h14-15H,10-13H2,1-9H3,(H,25,28)(H2,23,24,26,29)/t15-/m0/s1
C22H40N4O6456.57622100
122905684
InChI=1/2C11H20N2O3/c2*1-11(2,3)16-10(14)13-6-8-9(7-13)15-5-4-12-8/h2*8-9,12H,4-7H2,1-3H3/t2*8-,9-/m10/s1
C22H40N4O6456.57622200
62315849

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H40N4O6/c1-21(2,3)31-19(29)25-12-10-23-17(27)15-8-7-9-16(14-15)18(28)24-11-13-26-20(30)32-22(4,5)6/h15-16H,7-14H2,1-6H3,(H,23,27)(H,24,28)(H,25,29)(H,26,30)/t15-,16+
C22H40N4O6456.57622200
62315850

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H40N4O6/c1-21(2,3)31-19(29)25-12-10-23-17(27)15-8-7-9-16(14-15)18(28)24-11-13-26-20(30)32-22(4,5)6/h15-16H,7-14H2,1-6H3,(H,23,27)(H,24,28)(H,25,29)(H,26,30)/t15-,16-/m1/s1
C22H40N4O6456.57622200
62638069

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H40N4O6/c1-21(2,3)31-19(29)25-12-10-23-17(27)15-8-7-9-16(14-15)18(28)24-11-13-26-20(30)32-22(4,5)6/h15-16H,7-14H2,1-6H3,(H,23,27)(H,24,28)(H,25,29)(H,26,30)/t15-,16-/m0/s1
C22H40N4O6456.57622200
2756041

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H38N4O6/c1-3-31-21(29)7-5-9-23-19(27)17-25-11-14-26(15-12-25,16-13-25)18-20(28)24-10-6-8-22(30)32-4-2/h3-18H2,1-2H3/p+2
C22H40N4O6456.57622100
8451580

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H40N4O6/c1-8-13(9-2)17(24-12(4)27)16-15(11-14(18(16)28)19(29)31-10-3)25-20(23)26-21(30)32-22(5,6)7/h13-18,28H,8-11H2,1-7H3,(H,24,27)(H3,23,25,26,30)/t14-,15+,16+,17?,18+/m0/s1
C22H40N4O6456.57622100
8822832
InChI=1/C22H40N4O6/c1-21(2,3)31-19(29)23-11-7-9-17(27)25-13-15-26(16-14-25)18(28)10-8-12-24-20(30)32-22(4,5)6/h7-16H2,1-6H3,(H,23,29)(H,24,30)
C22H40N4O6456.57622100
124044341
InChI=1/C22H40N4O6/c1-4-24(5-2)8-6-9-26-17-21(32-18-22(30)23-7-14-31-3)20(29)15-19(26)16-25(10-12-27)11-13-28/h15,17,27-28H,4-14,16,18H2,1-3H3,(H,23,30)
C22H40N4O6456.57621100
124044847
InChI=1/C22H40N4O6/c1-24(2)8-6-9-26-17-21(32-18-22(28)23-7-12-29-3)20(27)15-19(26)16-25(10-13-30-4)11-14-31-5/h15,17H,6-14,16,18H2,1-5H3,(H,23,28)
C22H40N4O6456.57621100
124050409
InChI=1/C22H40N4O6/c1-4-24(5-2)9-7-23-22(30)18-32-21-17-26(8-6-14-31-3)19(15-20(21)29)16-25(10-12-27)11-13-28/h15,17,27-28H,4-14,16,18H2,1-3H3,(H,23,30)
C22H40N4O6456.57621100
124068674
InChI=1/C22H40N4O6/c1-4-24(5-2)8-7-23-22(30)18-32-21-17-26(10-13-31-14-12-28)19(15-20(21)29)16-25(6-3)9-11-27/h15,17,27-28H,4-14,16,18H2,1-3H3,(H,23,30)
C22H40N4O6456.57621100
17612775

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H40N4O6/c1-9-14(4)16(23-21(30)32-22(5,6)7)18(27)24-17(13(2)3)25-20(29)26-12-10-11-15(26)19(28)31-8/h13-17H,9-12H2,1-8H3,(H,23,30)(H,24,27)(H,25,29)/t14-,15-,16-,17-/m0/s1
C22H40N4O6456.57621100
12

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