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 5 results

Search term: IPDAQEWYJLJGEJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
443986

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C34H61N5O9/c1-9-11-12-13-14-15-16-26-22(6)34(47)39(8)25(17-20(3)4)31(44)37-28(21(5)10-2)33(46)36-24(19-40)30(43)38-29(23(7)41)32(45)35-18-27(42)48-26/h20-26,28-29,40-41H,9-19H2,1-8H3,(H,35,45)(H,36,46)(H,37,44)(H,38,43)/t21-,22-,23+,24-,25+,26-,28+,29-/m1/s1
C34H61N5O9683.87622200
8547878

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C34H61N5O9/c1-9-11-12-13-14-15-16-26-22(6)34(47)39(8)25(17-20(3)4)31(44)37-28(21(5)10-2)33(46)36-24(19-40)30(43)38-29(23(7)41)32(45)35-18-27(42)48-26/h20-26,28-29,40-41H,9-19H2,1-8H3,(H,35,45)(H,36,46)(H,37,44)(H,38,43)/t21-,22-,23+,24-,25+,26+,28+,29-/m1/s1
C34H61N5O9683.87622100
9540872

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C34H61N5O9/c1-9-11-12-13-14-15-16-26-22(6)34(47)39(8)25(17-20(3)4)31(44)37-28(21(5)10-2)33(46)36-24(19-40)30(43)38-29(23(7)41)32(45)35-18-27(42)48-26/h20-26,28-29,40-41H,9-19H2,1-8H3,(H,35,45)(H,36,46)(H,37,44)(H,38,43)/t21-,22-,23+,24+,25+,26-,28+,29+/m1/s1
C34H61N5O9683.87622100
23165873

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C34H61N5O9/c1-9-11-12-13-14-15-16-26-22(6)34(47)39(8)25(17-20(3)4)31(44)37-28(21(5)10-2)33(46)36-24(19-40)30(43)38-29(23(7)41)32(45)35-18-27(42)48-26/h20-26,28-29,40-41H,9-19H2,1-8H3,(H,35,45)(H,36,46)(H,37,44)(H,38,43)/t21-,22-,23+,24+,25+,26-,28+,29-/m1/s1
C34H61N5O9683.87622200
78444920

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C34H61N5O9/c1-9-11-12-13-14-15-16-26-22(6)34(47)39(8)25(17-20(3)4)31(44)37-28(21(5)10-2)33(46)36-24(19-40)30(43)38-29(23(7)41)32(45)35-18-27(42)48-26/h20-26,28-29,40-41H,9-19H2,1-8H3,(H,35,45)(H,36,46)(H,37,44)(H,38,43)
C34H61N5O9683.87621100

Advertisement