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 12 results

Search term: SMEIBKQQBOLIMJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
102675

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H50N2O2/c1-28-12-11-22-21(23(28)18-24(27(28)33)30-13-5-3-6-14-30)10-9-20-17-26(32)25(19-29(20,22)2)31-15-7-4-8-16-31/h20-27,32-33H,3-19H2,1-2H3/t20-,21+,22-,23-,24-,25-,26-,27-,28-,29-/m0/s1
C29H50N2O2458.7195423300
25948887

5 of 10 defined stereocentres - 5/10 defined
InChI=1/C29H50N2O2/c1-28-12-11-22-21(23(28)18-24(27(28)33)30-13-5-3-6-14-30)10-9-20-17-26(32)25(19-29(20,22)2)31-15-7-4-8-16-31/h20-27,32-33H,3-19H2,1-2H3/t20?,21-,22+,23+,24?,25?,26?,27?,28+,29+/m1/s1
C29H50N2O2458.71955200
29738570

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C29H50N2O2/c1-28-12-11-22-21(23(28)18-24(27(28)33)30-13-5-3-6-14-30)10-9-20-17-26(32)25(19-29(20,22)2)31-15-7-4-8-16-31/h20-27,32-33H,3-19H2,1-2H3/t20-,21+,22-,23-,24?,25?,26?,27?,28-,29-/m0/s1
C29H50N2O2458.71953300
78076699

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H50N2O2/c1-28-12-11-22-21(23(28)18-24(27(28)33)30-13-5-3-6-14-30)10-9-20-17-26(32)25(19-29(20,22)2)31-15-7-4-8-16-31/h20-27,32-33H,3-19H2,1-2H3/t20-,21+,22-,23-,24-,25-,26-,27-,28-,29-/m1/s1
C29H50N2O2458.71952200
10001284

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C29H50N2O2/c1-28-12-11-22-21(23(28)18-24(27(28)33)30-13-5-3-6-14-30)10-9-20-17-26(32)25(19-29(20,22)2)31-15-7-4-8-16-31/h20-27,32-33H,3-19H2,1-2H3/t20-,21?,22?,23-,24-,25-,26-,27-,28-,29-/m0/s1
C29H50N2O2458.71952100
15133913

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C29H50N2O2/c1-28-12-11-22-21(23(28)18-24(27(28)33)30-13-5-3-6-14-30)10-9-20-17-26(32)25(19-29(20,22)2)31-15-7-4-8-16-31/h20-27,32-33H,3-19H2,1-2H3
C29H50N2O2458.71951100
78429477

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C29H50N2O2/c1-28-12-11-22-21(23(28)18-24(27(28)33)30-13-5-3-6-14-30)10-9-20-17-26(32)25(19-29(20,22)2)31-15-7-4-8-16-31/h20-27,32-33H,3-19H2,1-2H3/t20-,21+,22-,23-,24-,25-,26-,27-,28?,29?/m0/s1
C29H50N2O2458.71951100
78430226

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H50N2O2/c1-28-12-11-22-21(23(28)18-24(27(28)33)30-13-5-3-6-14-30)10-9-20-17-26(32)25(19-29(20,22)2)31-15-7-4-8-16-31/h20-27,32-33H,3-19H2,1-2H3/t20-,21+,22+,23-,24+,25+,26+,27+,28+,29+/m1/s1
C29H50N2O2458.71951100
78431991

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C29H50N2O2/c1-28-12-11-22-21(23(28)18-24(27(28)33)30-13-5-3-6-14-30)10-9-20-17-26(32)25(19-29(20,22)2)31-15-7-4-8-16-31/h20-27,32-33H,3-19H2,1-2H3/t20-,21+,22+,23-,24?,25?,26?,27?,28+,29+/m1/s1
C29H50N2O2458.71951100
107449984

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H50N2O2/c1-28-12-11-22-21(23(28)18-24(27(28)33)30-13-5-3-6-14-30)10-9-20-17-26(32)25(19-29(20,22)2)31-15-7-4-8-16-31/h20-27,32-33H,3-19H2,1-2H3/t20-,21-,22-,23-,24-,25+,26-,27+,28-,29-/m0/s1
C29H50N2O2458.71951100
113607007

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C29H50N2O2/c1-28-12-11-22-21(23(28)18-24(27(28)33)30-13-5-3-6-14-30)10-9-20-17-26(32)25(19-29(20,22)2)31-15-7-4-8-16-31/h20-27,32-33H,3-19H2,1-2H3/t20-,21+,22+,23-,24+,25-,26-,27?,28-,29-/m1/s1
C29H50N2O2458.71951100
114393168

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H50N2O2/c1-28-12-11-22-21(23(28)18-24(27(28)33)30-13-5-3-6-14-30)10-9-20-17-26(32)25(19-29(20,22)2)31-15-7-4-8-16-31/h20-27,32-33H,3-19H2,1-2H3/t20-,21+,22+,23-,24+,25-,26-,27-,28-,29-/m1/s1
C29H50N2O2458.71951100

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