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 10 results

Search term: NOWRLNPOENZFHP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
392915

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)8-2-9(16)12(5-15)3-7(8)12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8+,9+,12+/m1/s1
C12H16N2O4252.2664222500
437630

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)8-2-9(16)12(5-15)3-7(8)12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)
C12H16N2O4252.26646300
8013606

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)8-2-9(16)12(5-15)3-7(8)12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8-,9-,12+/m0/s1
C12H16N2O4252.26643300
107443957

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)8-2-9(16)12(5-15)3-7(8)12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8+,9+,12+/m1/s1/i1D3
C12H13D3N2O4255.28492200
340342

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)8-2-9(16)12(5-15)3-7(8)12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8?,9-,12-/m0/s1
C12H16N2O4252.26642200
111311691

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)8-2-9(16)12(5-15)3-7(8)12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8+,9+,12+/m0/s1/i1D3
C12H13D3N2O4255.28491100
111311694

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)8-2-9(16)12(5-15)3-7(8)12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8-,9+,12-/m1/s1
C12H16N2O4252.26641100
32778822

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)8-2-9(16)12(5-15)3-7(8)12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8?,9+,12+/m1/s1
C12H16N2O4252.26641100
58839704

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)8-2-9(16)12(5-15)3-7(8)12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8?,9+,12-/m1/s1
C12H16N2O4252.26641100
74176440

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)8-2-9(16)12(5-15)3-7(8)12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8+,9-,12+/m1/s1
C12H16N2O4252.26641100

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