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 5 results

Search term: AJDGHHWRQQMMDK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58170493

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C6H10O7.H2O/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-4,7-10H,1H2,(H,12,13);1H2/t2-,3+,4-;/m0./s1
C6H12O8212.15479600
17340847

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C6H10O7.H2O/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-4,7-10H,1H2,(H,12,13);1H2/t2-,3+,4-;/m1./s1
C6H12O8212.15474300
453500

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C6H10O7.H2O/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-4,7-10H,1H2,(H,12,13);1H2
C6H12O8212.154682200
21436214

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C6H10O7.H2O/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-4,7-10H,1H2,(H,12,13);1H2/p-1/t2-,3-,4+;/m1./s1
C6H11O8211.14731100

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