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: IGQBPDJNUXPEMT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4932271

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H23NO4/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3
C12H23NO4245.31533427440
148017

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H23NO4/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3/t10-/m1/s1
C12H23NO4245.3153292200
4932272

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H23NO4/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3/p+1
C12H24NO4246.32275400
148018

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H23NO4/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3/p+1/t10-/m1/s1
C12H24NO4246.32274300
68894904

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C12H23NO4/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3/t10-/m1/s1/i3D3,4D3,5D3
C12H14D9NO4254.37084300
397460

Charge

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C12H23NO4/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3/p+1/t10-/m1/s1/i3-1
C1111CH24NO4245.32342200
26324026

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C12H23NO4/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3/t10-/m1/s1/i1D3,2D3,6D2,9D
C12H14D9NO4254.37081100

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