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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 27 results

Search term: C20H38N6O4 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
65357

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15-,16-,17-/m0/s1
C20H38N6O4426.55354757242267
4447481

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15?,16-,17-/m0/s1
C20H38N6O4426.55352121100
3773

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)
C20H38N6O4426.5535115400
388620

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15?,16-,17?/m0/s1
C20H38N6O4426.55357700
2298508

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H38N6O4/c1-12(2)9-16(24-14(5)28)18(29)26-19(30)17(10-13(3)4)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17,25H,6-10H2,1-5H3,(H,24,28)(H4,21,22,23)(H,26,29,30)/t15?,16-,17-/m0/s1
C20H38N6O4426.553525500
8540602

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H38N6O4/c1-6-13(4)17(26-18(29)16(10-12(2)3)24-14(5)28)19(30)25-15(11-27)8-7-9-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,30)(H,26,29)(H4,21,22,23)/t13-,15-,16-,17-/m0/s1
C20H38N6O4426.55355400
8630585

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H38N6O4/c1-6-13(4)17(24-14(5)28)19(30)26-16(10-12(2)3)18(29)25-15(11-27)8-7-9-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t13-,15-,16-,17-/m0/s1
C20H38N6O4426.55355400
380792

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H36N6O4/c1-19(2,3)23-15(27)21-25(7,17(23)29)13-11-9-10-12-14-26(8)18(30)24(16(28)22-26)20(4,5)6/h9-14H2,1-8H3/p+2
C20H38N6O4426.55244300
23212904

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15-,16-,17+/m0/s1
C20H38N6O4426.55353200
23223179

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15-,16+,17-/m1/s1
C20H38N6O4426.55353300
115271782

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H38N6O4/c1-12(2)9-16(25-14(5)28)19(30)26(17(18(21)29)10-13(3)4)15(11-27)7-6-8-24-20(22)23/h11-13,15-17H,6-10H2,1-5H3,(H2,21,29)(H,25,28)(H4,22,23,24)/t15?,16-,17-/m0/s1
C20H38N6O4426.55353300
58164346
InChI=1/2C10H19N3O2/c2*11-9(12)13-6-8-7-14-10(15-8)4-2-1-3-5-10/h2*8H,1-7H2,(H4,11,12,13)
C20H38N6O4426.55352200
88298001

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15?,16?,17-/m0/s1
C20H38N6O4426.55352100
24608081

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15-,16+,17+/m1/s1
C20H38N6O4426.55352700
9297921

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H38N6O4/c1-21-9-11-23(12-10-21)17-19(30-26(28)29)18-24-13-15-25(16-14-24)20(27)5-8-22-6-3-2-4-7-22/h19H,2-18H2,1H3
C20H38N6O4426.55352100
9559709

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H38N6O4/c1-11(2)9-15-19(29)23-7-5-14(22)18(28)26-16(10-12(3)4)20(30)24-8-6-13(21)17(27)25-15/h11-16H,5-10,21-22H2,1-4H3,(H,23,29)(H,24,30)(H,25,27)(H,26,28)/t13-,14-,15-,16-/m0/s1
C20H38N6O4426.55352100
9593785

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H38N6O4/c21-13-7-5-9-15(19(23)29)25-17(27)11-3-1-2-4-12-18(28)26-16(20(24)30)10-6-8-14-22/h1-2,15-16H,3-14,21-22H2,(H2,23,29)(H2,24,30)(H,25,27)(H,26,28)/b2-1+/t15-,16-/m0/s1
C20H38N6O4426.55352100
8585655

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C20H38N6O4/c1-6-12(4)16(25-17(28)15(10-11(2)3)23-13(5)27)18(29)24-14-8-7-9-26(19(14)30)20(21)22/h11-12,14-16,19,30H,6-10H2,1-5H3,(H3,21,22)(H,23,27)(H,24,29)(H,25,28)/t12-,14-,15-,16-,19?/m0/s1
C20H38N6O4426.55352100
8246674

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C20H38N6O4/c1-6-12(4)16(23-13(5)27)18(29)25-15(10-11(2)3)17(28)24-14-8-7-9-26(19(14)30)20(21)22/h11-12,14-16,19,30H,6-10H2,1-5H3,(H3,21,22)(H,23,27)(H,24,28)(H,25,29)/t12-,14-,15-,16-,19?/m0/s1
C20H38N6O4426.55352100
24958705

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C20H38N6O4/c1-6-12(3)16(24-14(5)28)19(30)26-17(13(4)7-2)18(29)25-15(11-27)9-8-10-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t12?,13?,15-,16-,17-/m0/s1
C20H38N6O4426.55351100
12

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