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 6 results

Search term: YKSHSSFDOHACTC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3168794

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H13ClF3NO2/c1-6(2)10(11(18)19)17-9-4-3-7(5-8(9)13)12(14,15)16/h3-6,10,17H,1-2H3,(H,18,19)
C12H13ClF3NO2295.6853433400
1731003

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H13ClF3NO2/c1-6(2)10(11(18)19)17-9-4-3-7(5-8(9)13)12(14,15)16/h3-6,10,17H,1-2H3,(H,18,19)/t10-/m1/s1
C12H13ClF3NO2295.6853362000
137843

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H13ClF3NO2/c1-6(2)10(11(18)19)17-9-4-3-7(5-8(9)13)12(14,15)16/h3-6,10,17H,1-2H3,(H,18,19)/t10-/m0/s1
C12H13ClF3NO2295.6853211300
1731001

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H13ClF3NO2/c1-6(2)10(11(18)19)17-9-4-3-7(5-8(9)13)12(14,15)16/h3-6,10,17H,1-2H3,(H,18,19)/p-1/t10-/m0/s1
C12H12ClF3NO2294.67792200
1731002

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H13ClF3NO2/c1-6(2)10(11(18)19)17-9-4-3-7(5-8(9)13)12(14,15)16/h3-6,10,17H,1-2H3,(H,18,19)/p-1/t10-/m1/s1
C12H12ClF3NO2294.67791100
71047819

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H13ClF3NO2/c1-6(2)10(11(18)19)17-9-4-3-7(5-8(9)13)12(14,15)16/h3-6,10,17H,1-2H3,(H,18,19)/i9+2
C1114CH13ClF3NO2297.67791100

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