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 4 results

Search term: SQXKJUHCNBLQNF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
20157661

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C13H14OS/c14-15(12-4-2-1-3-5-12)13-9-10-6-7-11(13)8-10/h1-7,10-11,13H,8-9H2
C13H14OS218.31477510
7851545

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C13H14OS/c14-15(12-4-2-1-3-5-12)13-9-10-6-7-11(13)8-10/h1-7,10-11,13H,8-9H2/t10-,11+,13-,15+/m1/s1
C13H14OS218.31473300
35801646

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C13H14OS/c14-15(12-4-2-1-3-5-12)13-9-10-6-7-11(13)8-10/h1-7,10-11,13H,8-9H2/t10-,11+,13-,15?/m1/s1
C13H14OS218.31472100

Advertisement