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 3 results

Search term: ASGUPKXCDOJNJC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2339961

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C22H38N2O16/c1-7(29)23-9(3-25)19(39-22-18(36)17(35)15(33)12(6-28)38-22)20(10(31)4-26)40-21-13(24-8(2)30)16(34)14(32)11(5-27)37-21/h3,9-22,26-28,31-36H,4-6H2,1-2H3,(H,23,29)(H,24,30)/t9-,10+,11+,12+,13+,14-,15-,16+,17-,18+,19+,20-,21-,22-/m0/s1
C22H38N2O16586.5409199999998600
2299864

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C22H38N2O16/c1-7(29)23-9(3-25)19(39-22-18(36)17(35)15(33)12(6-28)38-22)20(10(31)4-26)40-21-13(24-8(2)30)16(34)14(32)11(5-27)37-21/h3,9-22,26-28,31-36H,4-6H2,1-2H3,(H,23,29)(H,24,30)/t9-,10+,11+,12+,13+,14+,15-,16+,17-,18+,19+,20-,21-,22-/m0/s1
C22H38N2O16586.5409199999994400
68026885

12 of 14 defined stereocentres - 12/14 defined
InChI=1/C22H38N2O16/c1-7(29)23-9(3-25)19(39-22-18(36)17(35)15(33)12(6-28)38-22)20(10(31)4-26)40-21-13(24-8(2)30)16(34)14(32)11(5-27)37-21/h3,9-22,26-28,31-36H,4-6H2,1-2H3,(H,23,29)(H,24,30)/t9?,10-,11-,12+,13?,14+,15-,16-,17-,18+,19-,20+,21+,22-/m0/s1
C22H38N2O16586.54091100

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