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 31 results

Search term: ARYTXMNEANMLMU (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
106639

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20-,21+,22+,23+,24-,25+,26+,27+,28-/m1/s1
C28H50O402.696468400
4446734

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20+,21-,22-,23-,24+,25-,26-,27-,28+/m0/s1
C28H50O402.696243000
532070

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3
C28H50O402.696111306
2338316

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20+,21?,22?,23-,24+,25-,26-,27-,28+/m0/s1
C28H50O402.6960000000016906
17215967

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20-,21?,22?,23+,24-,25+,26+,27+,28-/m1/s1
C28H50O402.6965456125
58781092

9 of 10 defined stereocentres - 9/10 defined

Non-standard isotope
InChI=1/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19?,20-,21+,22+,23+,24-,25+,26+,27+,28-/m1/s1/i1D3,2D3,18D
C28H43D7O409.73914600
29215705

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19?,20-,21-,22+,23+,24-,25+,26+,27+,28-/m1/s1
C28H50O402.6963300
29215756

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19?,20-,21+,22-,23+,24-,25+,26+,27+,28-/m1/s1
C28H50O402.6962200
77498586

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20?,21-,22+,23+,24+,25-,26-,27+,28-/m1/s1
C28H50O402.6962100
58781335

9 of 10 defined stereocentres - 9/10 defined

Non-standard isotope
InChI=1/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20?,21+,22+,23+,24-,25+,26+,27+,28-/m1/s1/i1D3,2D3,18D
C28H43D7O409.73912200
4477827

1 of 10 defined stereocentres - 1/10 defined
InChI=1/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20?,21?,22?,23?,24?,25?,26?,27?,28?/m1/s1
C28H50O402.6962200
8084761

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19?,20?,21?,22-,23?,24+,25-,26-,27-,28+/m0/s1
C28H50O402.6962100
67155298

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20-,21-,22+,23+,24-,25+,26+,27+,28-/m1/s1
C28H50O402.6961100
67171929

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20+,21+,22+,23-,24+,25-,26-,27-,28+/m0/s1
C28H50O402.6961100
78076154

9 of 10 defined stereocentres - 9/10 defined

Non-standard isotope
InChI=1/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20?,21+,22+,23+,24-,25+,26+,27+,28-/m0/s1/i1D3,2D3,18D
C28H43D7O409.73911100
78222705

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20-,21+,22+,23+,24-,25+,26+,27+,28-/m0/s1
C28H50O402.6961100
111310144

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19?,20-,21+,22-,23-,24-,25+,26+,27-,28+/m1/s1
C28H50O402.6961100
111310152

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20?,21-,22+,23+,24+,25-,26-,27+,28-/m0/s1
C28H50O402.6961100
113610058

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20+,21-,22-,23-,24-,25-,26+,27+,28+/m0/s1
C28H50O402.6961100
114816539

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20-,21+,22+,23+,24-,25+,26-,27-,28-/m1/s1
C28H50O402.6961100
12

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