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 7 results

Search term: PWBXSZOZBWBLEW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
469515

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C9H18O6/c1-13-5-6(11)8(12)9(15-3)7(4-10)14-2/h4,6-9,11-12H,5H2,1-3H3
C9H18O6222.235648017
20037697

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H18O6/c1-13-5-6(11)8(12)9(15-3)7(4-10)14-2/h4,6-9,11-12H,5H2,1-3H3/t6-,7+,8-,9-/m1/s1
C9H18O6222.235648041
52085519

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H18O6/c1-13-5-6(11)8(12)9(15-3)7(4-10)14-2/h4,6-9,11-12H,5H2,1-3H3/t6-,7+,8+,9-/m1/s1
C9H18O6222.23563800
52085613

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H18O6/c1-13-5-6(11)8(12)9(15-3)7(4-10)14-2/h4,6-9,11-12H,5H2,1-3H3/t6-,7-,8-,9-/m1/s1
C9H18O6222.23563400
67027407

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H18O6/c1-13-5-6(11)8(12)9(15-3)7(4-10)14-2/h4,6-9,11-12H,5H2,1-3H3/t6-,7+,8+,9-/m1/s1/i1D,2D,3D
C9H15D3O6225.25411400
67028900

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H18O6/c1-13-5-6(11)8(12)9(15-3)7(4-10)14-2/h4,6-9,11-12H,5H2,1-3H3/t6-,7+,8-,9-/m1/s1/i1D,2D,3D
C9H15D3O6225.254111000
67030285

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H18O6/c1-13-5-6(11)8(12)9(15-3)7(4-10)14-2/h4,6-9,11-12H,5H2,1-3H3/t6-,7-,8-,9-/m1/s1/i1D,2D,3D
C9H15D3O6225.25411300

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