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: NEPLBHLFDJOJGP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4589152

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H9FN4O5/c1-4(9(11)15)12-6-2-5(10)7(13(16)17)3-8(6)14(18)19/h2-4,12H,1H3,(H2,11,15)/t4-/m0/s1
C9H9FN4O5272.19938010
28468827

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H9FN4O5/c1-4(9(11)15)12-6-2-5(10)7(13(16)17)3-8(6)14(18)19/h2-4,12H,1H3,(H2,11,15)/t4-/m1/s1
C9H9FN4O5272.19353000
3509779

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H9FN4O5/c1-4(9(11)15)12-6-2-5(10)7(13(16)17)3-8(6)14(18)19/h2-4,12H,1H3,(H2,11,15)
C9H9FN4O5272.1899632212100
128942967

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H9FN4O5/c1-4(9(11)15)12-6-2-5(10)7(13(16)17)3-8(6)14(18)19/h2-4,12H,1H3,(H2,11,15)/t4-/m0/s1/i1D3
C9H6D3FN4O5275.20841100
128942968

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H9FN4O5/c1-4(9(11)15)12-6-2-5(10)7(13(16)17)3-8(6)14(18)19/h2-4,12H,1H3,(H2,11,15)/t4-/m1/s1/i1D3
C9H6D3FN4O5275.20841100

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