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: ABLLSTRCBRMLQG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
59002796

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C14H23N3O10.Na/c1-5(18)17-8-6(19)3-14(26-2,13(24)25)27-10(8)9(21)7(20)4-16-12(23)11(15)22;/h6-10,19-21H,3-4H2,1-2H3,(H2,15,22)(H,16,23)(H,17,18)(H,24,25);/q;+1/p-1/t6-,7+,8+,9+,10+,14+;/m0./s1
C14H22N3NaO10415.32833300
76806790

Charge

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C14H23N3O10.Na/c1-5(18)17-8-6(19)3-14(26-2,13(24)25)27-10(8)9(21)7(20)4-16-12(23)11(15)22;/h6-10,19-21H,3-4H2,1-2H3,(H2,15,22)(H,16,23)(H,17,18)(H,24,25);/q;+1/p-1/t6-,7+,8+,9+,10+,14?;/m0./s1
C14H22N3NaO10415.32832200

Advertisement