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: WGMASVSHOSNKMF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17691

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C11H15BrN2O3/c1-6(2)11(5-7(3)12)8(15)13-10(17)14(4)9(11)16/h6H,3,5H2,1-2,4H3,(H,13,15,17)
C11H15BrN2O3303.152435403676
48061028

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C11H15BrN2O3/c1-6(2)11(5-7(3)12)8(15)13-10(17)14(4)9(11)16/h6H,3,5H2,1-2,4H3,(H,13,15,17)/i1D3,2D3,6D
C11H8D7BrN2O3310.19554400
95561006

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C11H15BrN2O3/c1-6(2)11(5-7(3)12)8(15)13-10(17)14(4)9(11)16/h6H,3,5H2,1-2,4H3,(H,13,15,17)/p-1
C11H14BrN2O3302.1451100
34989085

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H15BrN2O3/c1-6(2)11(5-7(3)12)8(15)13-10(17)14(4)9(11)16/h6H,3,5H2,1-2,4H3,(H,13,15,17)/t11-/m0/s1
C11H15BrN2O3303.15241100
34989086

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H15BrN2O3/c1-6(2)11(5-7(3)12)8(15)13-10(17)14(4)9(11)16/h6H,3,5H2,1-2,4H3,(H,13,15,17)/t11-/m1/s1
C11H15BrN2O3303.15241100

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