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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 65 results

Search term: C21H22N2O9 (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3058330

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22N2O9/c1-28-8-9-31-19(26)16-17(22)32-13(10-14(24)29-2)15(18(25)30-3)21(16)11-6-4-5-7-12(11)23-20(21)27/h4-7H,8-10,22H2,1-3H3,(H,23,27)
C21H22N2O9446.4074211700
3784708

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22N2O9/c1-11-5-15(22(27)28)6-12(2)18(11)20(25)31-10-17(9-24)32-21(26)19-13(3)7-16(23(29)30)8-14(19)4/h5-8,17,24H,9-10H2,1-4H3
C21H22N2O9446.40738141100
4777098

Double-bond stereo
InChI=1/C21H22N2O9/c1-28-14-6-7-15(16(11-14)23(26)27)22-19(24)12-32-20(25)8-5-13-9-17(29-2)21(31-4)18(10-13)30-3/h5-11H,12H2,1-4H3,(H,22,24)/b8-5+
C21H22N2O9446.4074111100
30740043

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C19H20N2O5.C2H2O4/c22-14(15-6-3-11-24-15)12-20-7-9-21(10-8-20)19(23)18-13-25-16-4-1-2-5-17(16)26-18;3-1(4)2(5)6/h1-6,11,18H,7-10,12-13H2;(H,3,4)(H,5,6)
C21H22N2O9446.407410800
1766003

Double-bond stereo
InChI=1/C21H22N2O9/c1-28-16-7-6-14(23(26)27)11-15(16)22-19(24)12-32-20(25)8-5-13-9-17(29-2)21(31-4)18(10-13)30-3/h5-11H,12H2,1-4H3,(H,22,24)/b8-5+
C21H22N2O9446.407410900
11726249
InChI=1/C21H22N2O9/c1-29-17-5-4-13(8-18(17)30-2)6-7-22-19(24)12-32-21(26)15-9-14(20(25)31-3)10-16(11-15)23(27)28/h4-5,8-11H,6-7,12H2,1-3H3,(H,22,24)
C21H22N2O9446.40749700
23316458

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H22N2O9/c1-23(12-8-10-4-6-14(29-2)17(30-3)16(10)31-20(12)27)19(26)11-9-21(28)15(25)7-5-13(24)18(21)32-22-11/h4-8,13,15,18,24-25,28H,9H2,1-3H3/t13-,15-,18+,21+/m1/s1
C21H22N2O9446.407461500
2328317

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H22N2O9/c1-11(25)22-17-20(28)19(27)16(10-24)32-21(17)31-15-8-4-13(5-9-15)18(26)12-2-6-14(7-3-12)23(29)30/h2-9,16-17,19-21,24,27-28H,10H2,1H3,(H,22,25)/t16-,17-,19-,20-,21-/m1/s1
C21H22N2O9446.407385400
3289028

Double-bond stereo
InChI=1/C21H22N2O9/c1-28-14-6-7-15(16(11-14)23(26)27)22-19(24)12-32-20(25)8-5-13-9-17(29-2)21(31-4)18(10-13)30-3/h5-11H,12H2,1-4H3,(H,22,24)
C21H22N2O9446.40744300
3767053

Double-bond stereo
InChI=1/C21H22N2O9/c1-28-16-7-6-14(23(26)27)11-15(16)22-19(24)12-32-20(25)8-5-13-9-17(29-2)21(31-4)18(10-13)30-3/h5-11H,12H2,1-4H3,(H,22,24)
C21H22N2O9446.407383200
260056
InChI=1/C21H22N2O9/c1-4-5-6-7-31-19-11-14(13(2)24)10-18(30-3)20(19)32-21(25)15-8-16(22(26)27)12-17(9-15)23(28)29/h8-12H,4-7H2,1-3H3
C21H22N2O9446.40743200
495635

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H22N2O9/c1-12(24)7-8-16(26)30-11-14-18(32-20(28)13-5-3-2-4-6-13)17(27)19(31-14)23-10-9-15(25)22-21(23)29/h2-6,9-10,14,17-19,27H,7-8,11H2,1H3,(H,22,25,29)
C21H22N2O9446.40743400
496039

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H22N2O9/c1-12(24)7-8-16(26)30-11-14-17(27)18(32-20(28)13-5-3-2-4-6-13)19(31-14)23-10-9-15(25)22-21(23)29/h2-6,9-10,14,17-19,27H,7-8,11H2,1H3,(H,22,25,29)
C21H22N2O9446.40743400
28278404

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22N2O9/c1-28-8-9-31-19(26)16-17(22)23-12-7-5-4-6-11(12)21(16)15(18(25)30-3)13(32-20(21)27)10-14(24)29-2/h4-7,23H,8-10,22H2,1-3H3
C21H22N2O9446.40743100
29814442

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H22N2O9/c1-23(12-8-10-4-6-14(29-2)17(30-3)16(10)31-20(12)27)19(26)11-9-21(28)15(25)7-5-13(24)18(21)32-22-11/h4-8,13,15,18,24-25,28H,9H2,1-3H3
C21H22N2O9446.40743100
62577342

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H22N2O9/c1-28-8-9-31-19(26)16-17(22)23-12-7-5-4-6-11(12)21(16)15(18(25)30-3)13(32-20(21)27)10-14(24)29-2/h4-7,23H,8-10,22H2,1-3H3/t21-/m1/s1
C21H22N2O9446.40743300
21982331

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22N2O9/c1-6-31-19(25)13-7-14(9-15(8-13)23(28)29)20(26)32-12(4)18(24)17-10(2)16(11(3)22-17)21(27)30-5/h7-9,12,22H,6H2,1-5H3
C21H22N2O9446.40743100
9298292

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H22N2O9/c1-11-8-23(20(26)22-18(11)25)19-17(30-12(2)24)16(28-9-13-6-4-3-5-7-13)15(32-19)14-10-29-21(27)31-14/h3-8,14-17,19H,9-10H2,1-2H3,(H,22,25,26)/t14-,15-,16+,17-,19-/m1/s1
C21H22N2O9446.40742100
1421615

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H22N2O9/c1-11-5-15(22(27)28)6-12(2)18(11)20(25)31-10-17(9-24)32-21(26)19-13(3)7-16(23(29)30)8-14(19)4/h5-8,17,24H,9-10H2,1-4H3/t17-/m1/s1
C21H22N2O9446.40742100
1421616

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H22N2O9/c1-11-5-15(22(27)28)6-12(2)18(11)20(25)31-10-17(9-24)32-21(26)19-13(3)7-16(23(29)30)8-14(19)4/h5-8,17,24H,9-10H2,1-4H3/t17-/m0/s1
C21H22N2O9446.40742100
1234

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