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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 12 results

Search term: C20H28N2O10 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
22871098

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H28N2O10/c1-10(23)29-15-8-20(32-13(4)26,19(28)22-7-5-6-14(22)18(21)27)9-16(30-11(2)24)17(15)31-12(3)25/h14-17H,5-9H2,1-4H3,(H2,21,27)/t14-,15-,16-,17-,20+/m0/s1
C20H28N2O10456.44379600
71292147

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C20H28N2O10/c1-10(23)29-15-8-20(32-13(4)26,19(28)22-7-5-6-14(22)18(21)27)9-16(30-11(2)24)17(15)31-12(3)25/h14-17H,5-9H2,1-4H3,(H2,21,27)/t14?,15-,16-,17-,20+/m0/s1
C20H28N2O10456.44376600
2307496
InChI=1/C16H24N2O2.2C2H2O4/c1-13(2)20-15(19)16(17)8-10-18(11-9-16)12-14-6-4-3-5-7-14;2*3-1(4)2(5)6/h3-7,13H,8-12,17H2,1-2H3;2*(H,3,4)(H,5,6)
C20H28N2O10456.443725500
4952917

Double-bond stereo
InChI=1/C16H24N2O6.C4H4O4/c1-11-16(22)13(9-19)12(8-17-11)10-24-15(21)5-4-14(20)23-7-6-18(2)3;5-3(6)1-2-4(7)8/h8,19,22H,4-7,9-10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
C20H28N2O10456.44373300
9309352

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28N2O10/c1-11(21-20(28)32-8-12-6-4-3-5-7-12)17(26)22-13(18(27)29-2)9-30-19-16(25)15(24)14(23)10-31-19/h3-7,11,13-16,19,23-25H,8-10H2,1-2H3,(H,21,28)(H,22,26)/t11-,13-,14+,15-,16+,19+/m0/s1
C20H28N2O10456.44372100
9411463

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H28N2O10/c1-5-8-29-14(25)10-30-16-15(26)12(9-23)32-17(16)21-7-6-13(24)22(19(21)28)11-31-18(27)20(2,3)4/h5-7,12,15-17,23,26H,1,8-11H2,2-4H3/t12-,15-,16-,17-/m1/s1
C20H28N2O10456.44372100
9886929

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C20H28N2O10/c1-11(24)21-15-17-16(31-19(2,27-4)20(3,28-5)32-17)14(10-23)30-18(15)29-13-8-6-12(7-9-13)22(25)26/h6-9,14-18,23H,10H2,1-5H3,(H,21,24)/t14-,15-,16-,17-,18-,19?,20?/m1/s1
C20H28N2O10456.44372100
28527242

Double-bond stereo
InChI=1/C20H28N2O10/c1-28-19-16-17(8-10-18(19)29-12-4-2-6-14-31-21(24)25)9-11-20(23)30-13-5-3-7-15-32-22(26)27/h8-11,16H,2-7,12-15H2,1H3/b11-9+
C20H28N2O10456.44372200
2991992

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C20H28N2O10/c1-10(23)29-15-8-20(32-13(4)26,19(28)22-7-5-6-14(22)18(21)27)9-16(30-11(2)24)17(15)31-12(3)25/h14-17H,5-9H2,1-4H3,(H2,21,27)
C20H28N2O10456.443722100
35797578
InChI=1/2C8H11NO2.C4H6O6/c2*9-5-8(11)6-1-3-7(10)4-2-6;5-1(3(7)8)2(6)4(9)10/h2*1-4,8,10-11H,5,9H2;1-2,5-6H,(H,7,8)(H,9,10)
C20H28N2O10456.44371100
57523586
InChI=1/2C8H11NO2.C4H6O6/c2*9-5-8(11)6-1-3-7(10)4-2-6;5-1(3(7)8)2(6)4(9)10/h2*1-4,8,10-11H,5,9H2;1-2,5-6H,(H,7,8)(H,9,10)/t2*8-;/m00./s1
C20H28N2O10456.44371100
17463251

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C20H28N2O10/c1-10(23)29-15-8-20(32-13(4)26,19(28)22-7-5-6-14(22)18(21)27)9-16(30-11(2)24)17(15)31-12(3)25/h14-17H,5-9H2,1-4H3,(H2,21,27)/t14-,15-,16-,17?,20?/m0/s1
C20H28N2O10456.44371100

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