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 9 results

Search term: NSMXQKNUPPXBRG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
438549

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/t9-/m1/s1
C13H20N4O3280.3229575521240
52074

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3
C13H20N4O3280.32295313100
19556080

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/t9-/m0/s1
C13H20N4O3280.3229242600
48060316

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/i2D3,3D3
C13H14D6N4O3286.35999900
64854385

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/t9-/m0/s1/i1D3,6D2
C13H15D5N4O3285.35376700
48060317

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/i1D3,6D2,9D
C13H14D6N4O3286.35994400
68007054

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/i1D3,6D2
C13H15D5N4O3285.35371100
110404586

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/i1D3,6D2,8D
C13H14D6N4O3286.35991100
110801202

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/i1D3,6D2,8D,9D
C13H13D7N4O3287.3661100

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