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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 23 results

Search term: C22H41NO7 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
395814

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H41NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(26)30-22-17(14-19(25)23-28)16-29-18(15-24)21(22)27/h17-18,21-22,24,27-28H,2-16H2,1H3,(H,23,25)/t17-,18+,21+,22+/m0/s1
C22H41NO7431.5634111200
22842362

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H41NO7/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(26)21(30-16(2)24)20(27)19(23)22(28)29/h12,15,17-21,25-27H,3-11,13-14,23H2,1-2H3,(H,28,29)/b15-12+/t17?,18-,19-,20+,21+/m0/s1
C22H41NO7431.56348500
24823241

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H41NO7/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(30-16(2)24)20(26)21(27)19(23)22(28)29/h12,15,17-21,25-27H,3-11,13-14,23H2,1-2H3,(H,28,29)/b15-12+/t17-,18+,19+,20-,21-/m1/s1
C22H41NO7431.563481000
4943513

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C22H41NO7/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(30-16(2)24)20(26)21(27)19(23)22(28)29/h12,15,17-21,25-27H,3-11,13-14,23H2,1-2H3,(H,28,29)/b15-12+
C22H41NO7431.56345500
8246955

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H41NO7/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(30-16(2)24)20(26)21(27)19(23)22(28)29/h12,15,17-21,25-27H,3-11,13-14,23H2,1-2H3,(H,28,29)/b15-12+/t17?,18-,19-,20+,21+/m0/s1
C22H41NO7431.56345500
8246956

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H41NO7/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(26)20(27)21(28)19(22(29)30)23-16(2)24/h12,15,17-21,25-28H,3-11,13-14H2,1-2H3,(H,23,24)(H,29,30)/b15-12+/t17?,18-,19-,20+,21+/m0/s1
C22H41NO7431.56345300
4943514

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C22H41NO7/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(26)20(27)21(28)19(22(29)30)23-16(2)24/h12,15,17-21,25-28H,3-11,13-14H2,1-2H3,(H,23,24)(H,29,30)/b15-12+
C22H41NO7431.56344400
4948070

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C22H41NO7/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(26)21(30-16(2)24)20(27)19(23)22(28)29/h12,15,17-21,25-27H,3-11,13-14,23H2,1-2H3,(H,28,29)/b15-12+
C22H41NO7431.56344400
2631225

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H41NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(26)30-22-17(14-19(25)23-28)16-29-18(15-24)21(22)27/h17-18,21-22,24,27-28H,2-16H2,1H3,(H,23,25)
C22H41NO7431.56344600
26329623

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H41NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(26)30-22-17(14-19(25)23-28)16-29-18(15-24)21(22)27/h17-18,21-22,24,27-28H,2-16H2,1H3,(H,23,25)/t17-,18-,21-,22-/m0/s1
C22H41NO7431.56344400
24823242

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H41NO7/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(26)20(27)21(28)19(22(29)30)23-16(2)24/h12,15,17-21,25-28H,3-11,13-14H2,1-2H3,(H,23,24)(H,29,30)/b15-12+/t17-,18+,19+,20-,21-/m1/s1
C22H41NO7431.56343300
62568602

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H41NO7/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(26)21(30-16(2)24)20(27)19(23)22(28)29/h12,15,17-21,25-27H,3-11,13-14,23H2,1-2H3,(H,28,29)/b15-12+/t17-,18-,19-,20+,21+/m0/s1
C22H41NO7431.56342300
62573334

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H41NO7/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(26)21(30-16(2)24)20(27)19(23)22(28)29/h12,15,17-21,25-27H,3-11,13-14,23H2,1-2H3,(H,28,29)/b15-12+/t17-,18+,19+,20-,21-/m1/s1
C22H41NO7431.56342200
62573336

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H41NO7/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(30-16(2)24)20(26)21(27)19(23)22(28)29/h12,15,17-21,25-27H,3-11,13-14,23H2,1-2H3,(H,28,29)/b15-12+/t17-,18-,19-,20+,21+/m0/s1
C22H41NO7431.56342200
8356680

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H41NO7/c1-2-3-4-10-13-17(25)14-11-8-6-5-7-9-12-15-18(26)19(27)20(28)22(23,16-24)21(29)30/h9,12,18-20,24,26-28H,2-8,10-11,13-16,23H2,1H3,(H,29,30)/b12-9+
C22H41NO7431.56342100
8726031

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H41NO7/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(26)20(27)21(28)19(22(29)30)23-16(2)24/h12,15,17-21,25-28H,3-11,13-14H2,1-2H3,(H,23,24)(H,29,30)/b15-12+/t17-,18-,19+,20-,21-/m1/s1
C22H41NO7431.56342100
8916675

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H41NO7/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(26)20(27)21(28)19(22(29)30)23-16(2)24/h12,15,17-21,25-28H,3-11,13-14H2,1-2H3,(H,23,24)(H,29,30)/b15-12+/t17-,18+,19-,20+,21+/m0/s1
C22H41NO7431.56342100
9092277

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H41NO7/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(26)20(27)21(28)19(22(29)30)23-16(2)24/h12,15,17-21,25-28H,3-11,13-14H2,1-2H3,(H,23,24)(H,29,30)/b15-12+/t17-,18-,19-,20+,21+/m0/s1
C22H41NO7431.56342100
12

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