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: SFIBAAAUUBBTJU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8688882

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H17NO4/c1-5(2)6(13)11-7(16-9(11)15)10(3,4)8(14)12-11/h5-7,13H,1-4H3,(H,12,14)/t6-,7-,11+/m0/s1
C11H17NO4227.257141310
48062569

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C11H17NO4/c1-5(2)6(13)11-7(16-9(11)15)10(3,4)8(14)12-11/h5-7,13H,1-4H3,(H,12,14)/t6-,7-,11+/m0/s1/i3D3,4D3
C11H11D6NO4233.2944400
8641693

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H17NO4/c1-5(2)6(13)11-7(16-9(11)15)10(3,4)8(14)12-11/h5-7,13H,1-4H3,(H,12,14)/t6-,7+,11-/m1/s1
C11H17NO4227.2572100
57431605

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C11H17NO4/c1-5(2)6(13)11-7(16-9(11)15)10(3,4)8(14)12-11/h5-7,13H,1-4H3,(H,12,14)
C11H17NO4227.2571100
68026250

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C11H17NO4/c1-5(2)6(13)11-7(16-9(11)15)10(3,4)8(14)12-11/h5-7,13H,1-4H3,(H,12,14)/t6-,7-,11?/m0/s1
C11H17NO4227.2571200

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