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: HICSKBYWDSHPQA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10040436

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C16H28N4O5/c1-7(2)12(18-4)16(25)20-10-5-9(6-11(21)13(10)22)15(24)19-8(3)14(17)23/h5,7-8,10-13,18,21-22H,6H2,1-4H3,(H2,17,23)(H,19,24)(H,20,25)/t8-,10-,11-,12+,13-/m1/s1
C16H28N4O5356.41739600
2773779

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C16H28N4O5/c1-7(2)12(18-4)16(25)20-10-5-9(6-11(21)13(10)22)15(24)19-8(3)14(17)23/h5,7-8,10-13,18,21-22H,6H2,1-4H3,(H2,17,23)(H,19,24)(H,20,25)
C16H28N4O5356.417322100
10040435

Charge

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C16H28N4O5/c1-7(2)12(18-4)16(25)20-10-5-9(6-11(21)13(10)22)15(24)19-8(3)14(17)23/h5,7-8,10-13,18,21-22H,6H2,1-4H3,(H2,17,23)(H,19,24)(H,20,25)/p+1/t8-,10-,11-,12+,13-/m1/s1
C16H29N4O5357.42471100

Advertisement