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 2 results

Search term: JJRDPJNLIYCPKP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8072555

Charge

3 of 9 defined stereocentres - 3/9 defined
InChI=1/C43H50N4O8/c1-6-25-18-26-21-42(39(49)50,35-28(13-16-46(22-25)23-26)27-10-7-8-12-32(27)44-35)31-19-30-33(20-34(31)53-4)45(3)38-41(30)14-17-47-15-9-11-29(36(41)47)37(55-24(2)48)43(38,52)40(51)54-5/h7-12,19-20,22,25-26,29,36-38,44,52H,6,13-18,21,23H2,1-5H3/p+1/t25-,26-,29?,36?,37?,38?,41?,42-,43?/m0/s1
C43H51N4O8751.88652100
8072554

3 of 9 defined stereocentres - 3/9 defined
InChI=1/C43H50N4O8/c1-6-25-18-26-21-42(39(49)50,35-28(13-16-46(22-25)23-26)27-10-7-8-12-32(27)44-35)31-19-30-33(20-34(31)53-4)45(3)38-41(30)14-17-47-15-9-11-29(36(41)47)37(55-24(2)48)43(38,52)40(51)54-5/h7-12,19-20,22,25-26,29,36-38,44,52H,6,13-18,21,23H2,1-5H3/t25-,26-,29?,36?,37?,38?,41?,42-,43?/m0/s1
C43H50N4O8750.87911100

Advertisement