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: DBGIVFWFUFKIQN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3220


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3
C12H16F3N231.2573762192010
59217

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/t9-/m1/s1
C12H16F3N231.257338102250410
59646

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/t9-/m0/s1
C12H16F3N231.25733857251310
5294152

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/p+1/t9-/m1/s1
C12H17F3N232.26528962100
78333890

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/i1D3,3D2
C12H11D5F3N236.28821100
2757991

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/p+1
C12H17F3N232.26528961100

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