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 9 results

Search term: BCVXYGJCDZPKGV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
57727

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C12H19NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14)
C12H19NO193.28541068806
21186194

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H19NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14)/t9-,10+,11-,12-
C12H19NO193.2854161700
21833868

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H19NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14)/t9-,10+,11-,12?
C12H19NO193.285410700
73991249

0 of 4 defined stereocentres - 0/4 defined

Non-standard isotope
InChI=1/C12H19NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14)/i1D3
C12H16D3NO196.30387700
48059083

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C12H19NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14)/t9-,10+,11-,12?/i1D3
C12H16D3NO196.30385500
23080157

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H19NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14)/t9-,10-,11-,12?
C12H19NO193.28543300
27424117

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H19NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14)/t9-,10+,11-,12u
C12H19NO193.28541100
74998563

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H19NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14)/t9-,10-,11-,12-
C12H19NO193.28541100
107448214

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C12H19NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14)/t9-,10+,11-,12?/i2D2,3D2,4D2,5D2,6D2,7D2,9D,10D,11D
C12H4D15NO208.37781100

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