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: UPIGKNFANUFABB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3783434

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C41H46N2O4/c1-3-25-43(36-14-8-9-15-36)27-38-29(2)39(32-19-17-30(28-44)18-20-32)47-41(46-38)34-23-21-31(22-24-34)37-16-10-7-13-35(37)26-42-40(45)33-11-5-4-6-12-33/h3-7,10-13,16-24,29,36,38-39,41,44H,1,8-9,14-15,25-28H2,2H3,(H,42,45)
C41H46N2O4630.8149399999982100
5115704

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C41H46N2O4/c1-3-25-43(36-14-8-9-15-36)27-38-29(2)39(32-19-17-30(28-44)18-20-32)47-41(46-38)34-23-21-31(22-24-34)37-16-10-7-13-35(37)26-42-40(45)33-11-5-4-6-12-33/h3-7,10-13,16-24,29,36,38-39,41,44H,1,8-9,14-15,25-28H2,2H3,(H,42,45)/t29-,38+,39+,41+/m0/s1
C41H46N2O4630.81492100
5121448

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C41H46N2O4/c1-3-25-43(36-14-8-9-15-36)27-38-29(2)39(32-19-17-30(28-44)18-20-32)47-41(46-38)34-23-21-31(22-24-34)37-16-10-7-13-35(37)26-42-40(45)33-11-5-4-6-12-33/h3-7,10-13,16-24,29,36,38-39,41,44H,1,8-9,14-15,25-28H2,2H3,(H,42,45)/t29-,38+,39+,41+/m1/s1
C41H46N2O4630.81492100

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