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 6 results

Search term: LXJBARMBDDODTG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
395412

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C9H18O6/c1-12-4-5-6(10)7(13-2)8(14-3)9(11)15-5/h5-11H,4H2,1-3H3/t5-,6-,7+,8-,9+/m1/s1
C9H18O6222.23565800
395411

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C9H18O6/c1-12-4-5-6(10)7(13-2)8(14-3)9(11)15-5/h5-11H,4H2,1-3H3/t5-,6-,7+,8-,9-/m1/s1
C9H18O6222.23564700
4927361

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C9H18O6/c1-12-4-5-6(10)7(13-2)8(14-3)9(11)15-5/h5-11H,4H2,1-3H3
C9H18O6222.23562200
9910898

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C9H18O6/c1-12-4-5-6(10)7(13-2)8(14-3)9(11)15-5/h5-11H,4H2,1-3H3/t5-,6-,7+,8+,9-/m1/s1
C9H18O6222.23562100
67030241

4 of 5 defined stereocentres - 4/5 defined

Non-standard isotope
InChI=1/C9H18O6/c1-12-4-5-6(10)7(13-2)8(14-3)9(11)15-5/h5-11H,4H2,1-3H3/t5-,6+,7+,8-,9?/m1/s1/i1D,2D,3D
C9H15D3O6225.25411300
74098183

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C9H18O6/c1-12-4-5-6(10)7(13-2)8(14-3)9(11)15-5/h5-11H,4H2,1-3H3/t5-,6-,7+,8-,9?/m1/s1
C9H18O6222.23561100

Advertisement