Matches any text strings used to describe a molecule.
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
Additional Filters

Found 18 results

Search term: YOYLLRBMGQRFTN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
102911

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17-,20-,22+,23-,24+,25-/m1/s1
C25H35NO4413.5497264300
8177374

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17-,20-,22?,23-,24+,25-/m1/s1
C25H35NO4413.5497101200
48062589

6 of 7 defined stereocentres - 6/7 defined

Non-standard isotope
InChI=1/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17-,20-,22?,23-,24+,25-/m1/s1/i1D3,2D3,3D3
C25H26D9NO4422.60523600
49073343

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17-,20-,22+,23-,24+,25-/m1/s1/i5D3
C25H32D3NO4416.56823500
9925012

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17-,20-,22-,23+,24+,25+/m1/s1
C25H35NO4413.54972100
8063644

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16?,17-,20-,22-,23-,24+,25+/m1/s1
C25H35NO4413.54972100
58817580

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17-,20-,22+,23-,24+,25+/m1/s1
C25H35NO4413.54971100
78429169

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17-,20-,22+,23+,24+,25+/m1/s1
C25H35NO4413.54971100
78432931

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17-,20-,22+,23-,24+,25?/m1/s1
C25H35NO4413.54971100
78434204

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17+,20+,22-,23+,24+,25+/m1/s1
C25H35NO4413.54971100
107447052

6 of 7 defined stereocentres - 6/7 defined

Non-standard isotope
InChI=1/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17-,20-,22?,23-,24+,25-/m1/s1/i5D3
C25H32D3NO4416.56821200
111312384

6 of 7 defined stereocentres - 6/7 defined

Non-standard isotope
InChI=1/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17-,20-,22?,23-,24+,25-/m0/s1/i5D3
C25H32D3NO4416.56821100
115040752

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17+,20-,22-,23+,24+,25+/m0/s1/i5D3
C25H32D3NO4416.56821100
128733891

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17-,20-,22+,23-,24+,25-/m1/s1/i1D3,2D3,3D3
C25H26D9NO4422.60521100
129260789

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17-,20-,22+,23?,24+,25?/m1/s1
C25H35NO4413.54971900
129260791

5 of 7 defined stereocentres - 5/7 defined

Non-standard isotope
InChI=1/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17-,20-,22+,23?,24+,25?/m1/s1/i5D3
C25H32D3NO4416.56821500

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