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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
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 54 results

Search term: C20H20N2O9 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21896684
InChI=1/C20H20N2O9/c1-6-31-19(26)12-8-10-14(21-12)13-9(17(24)27-2)7-11(18(25)28-3)22-15(13)20(29-4,30-5)16(10)23/h7-8,21H,6H2,1-5H3
C20H20N2O9432.3808161200
9158107

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H20N2O9/c1-28-13-5-3-9-7-10(19(26)30-15(9)16(13)29-2)21-18(25)11-8-20(27)14(24)6-4-12(23)17(20)31-22-11/h3-7,12,14,17,23-24,27H,8H2,1-2H3,(H,21,25)/t12-,14-,17+,20+/m1/s1
C20H20N2O9432.3808152244
7870268

Double-bond stereo
InChI=1/C20H20N2O9/c1-28-14-4-2-3-5-15(14)29-10-18(23)22-21-9-13-6-7-16(30-11-19(24)25)17(8-13)31-12-20(26)27/h2-9H,10-12H2,1H3,(H,22,23)(H,24,25)(H,26,27)/b21-9+
C20H20N2O9432.3808141100
7870259

Double-bond stereo
InChI=1/C20H20N2O9/c1-28-14-3-5-15(6-4-14)29-10-18(23)22-21-9-13-2-7-16(30-11-19(24)25)17(8-13)31-12-20(26)27/h2-9H,10-12H2,1H3,(H,22,23)(H,24,25)(H,26,27)/b21-9+
C20H20N2O9432.3808131000
1789054
InChI=1/C20H20N2O9/c1-5-30-20(26)16-10(2)17(21-11(16)3)15(23)9-31-19(25)13-6-12(18(24)29-4)7-14(8-13)22(27)28/h6-8,21H,5,9H2,1-4H3
C20H20N2O9432.380811700
1851013
InChI=1/C20H20N2O9/c1-4-30-19(24)12-5-7-13(8-6-12)21-18(23)11-31-20(25)14-9-16(28-2)17(29-3)10-15(14)22(26)27/h5-10H,4,11H2,1-3H3,(H,21,23)
C20H20N2O9432.380810700
3230707

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H20N2O9/c1-11(19(23)21-9-12-4-5-15-18(6-12)30-10-29-15)31-20(24)13-7-16(27-2)17(28-3)8-14(13)22(25)26/h4-8,11H,9-10H2,1-3H3,(H,21,23)
C20H20N2O9432.380810700
3118055

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H20N2O9/c1-11(19(23)21-12-4-5-15-18(8-12)30-7-6-29-15)31-20(24)13-9-16(27-2)17(28-3)10-14(13)22(25)26/h4-5,8-11H,6-7H2,1-3H3,(H,21,23)
C20H20N2O9432.38089600
30740035
InChI=1/C18H18N2O5.C2H2O4/c21-14(15-2-1-9-23-15)11-19-5-7-20(8-6-19)18(22)13-3-4-16-17(10-13)25-12-24-16;3-1(4)2(5)6/h1-4,9-10H,5-8,11-12H2;(H,3,4)(H,5,6)
C20H20N2O9432.38089700
21640706

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H20N2O9/c1-5-28-20(25)16-9(2)17(21-10(16)3)18(23)11(4)31-19(24)12-6-14-15(30-8-29-14)7-13(12)22(26)27/h6-7,11,21H,5,8H2,1-4H3
C20H20N2O9432.38088600
1850512
InChI=1/C20H20N2O9/c1-21-17(25)20(18(26)22(2)19(21)27,9-11-5-7-13(30-11)15(23)28-3)10-12-6-8-14(31-12)16(24)29-4/h5-8H,9-10H2,1-4H3
C20H20N2O9432.38088400
10246271

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H20N2O9/c1-28-12-5-3-9-7-13(18(25)21-15(9)16(12)29-2)30-19(26)10-8-20(27)14(24)6-4-11(23)17(20)31-22-10/h3-7,11,14,17,23-24,27H,8H2,1-2H3,(H,21,25)/t11-,14-,17+,20+/m0/s1
C20H20N2O9432.38084415
22942424

Double-bond stereo
InChI=1/C20H20N2O9/c1-28-14-4-6-15(7-5-14)29-10-18(23)22-21-9-13-2-3-16(30-11-19(24)25)8-17(13)31-12-20(26)27/h2-9H,10-12H2,1H3,(H,22,23)(H,24,25)(H,26,27)/b21-9+
C20H20N2O9432.38083100
3125474

Double-bond stereo
InChI=1/C20H20N2O9/c1-28-14-4-2-3-5-15(14)29-10-18(23)22-21-9-13-6-7-16(30-11-19(24)25)17(8-13)31-12-20(26)27/h2-9H,10-12H2,1H3,(H,22,23)(H,24,25)(H,26,27)
C20H20N2O9432.38083200
3395341

Double-bond stereo
InChI=1/C20H20N2O9/c1-28-14-3-5-15(6-4-14)29-10-18(23)22-21-9-13-2-7-16(30-11-19(24)25)17(8-13)31-12-20(26)27/h2-9H,10-12H2,1H3,(H,22,23)(H,24,25)(H,26,27)
C20H20N2O9432.38083200
2587481
InChI=1/C20H20N2O9/c1-27-11-8-6-10(7-9-11)21-22-16-14(19(25)30-4)12(17(23)28-2)13(18(24)29-3)15(16)20(26)31-5/h6-9,21H,1-5H3
C20H20N2O9432.38083200
1835141

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H20N2O9/c1-11(19(23)21-12-4-5-15-18(8-12)30-7-6-29-15)31-20(24)13-9-16(27-2)17(28-3)10-14(13)22(25)26/h4-5,8-11H,6-7H2,1-3H3,(H,21,23)/t11-/m0/s1
C20H20N2O9432.38083200
34960072

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C20H20N2O9/c1-10(19(27)31-15(18(25)26)9-16(23)24)8-13-6-7-14(29-13)20(28)30-12-4-2-11(3-5-12)17(21)22/h2-7,10,15H,8-9H2,1H3,(H3,21,22)(H,23,24)(H,25,26)/t10?,15-/m1/s1
C20H20N2O9432.38083300
5142234

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H20N2O9/c1-2-28-19(24)18(23)17(21-20(25)29-10-12-6-4-3-5-7-12)13-8-15-16(31-11-30-15)9-14(13)22(26)27/h3-9,17-18,23H,2,10-11H2,1H3,(H,21,25)/t17-,18+/m0/s1
C20H20N2O9432.38082100
9559843

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C20H20N2O9/c1-9(23)28-8-14-16(29-10(2)24)17(30-11(3)25)15-20(31-14)21(15)22-18(26)12-6-4-5-7-13(12)19(22)27/h4-7,14-17,20H,8H2,1-3H3/t14-,15-,16-,17-,20+,21?/m1/s1
C20H20N2O9432.38082100
123

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