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 24 results

Search term: GAGWJHPBXLXJQN (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
54916


4 of 4 defined stereocentres - 4/4 defined
InChI=1/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1
C15H22FN3O6359.350114716825097
355054

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)
C15H22FN3O6359.350128103600
21467861

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1/i1D3,3D2,4D2,5D2,6D2
C15H11D11FN3O6370.4179141100
24656535

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13?/m1/s1
C15H22FN3O6359.35019400
21427132

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10+,11?,13-/m1/s1
C15H22FN3O6359.35008327400
29341881

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10?,11?,13-/m1/s1
C15H22FN3O6359.35015600
58825409

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10+,11-,13-/m1/s1
C15H22FN3O6359.35014300
94269980

2 of 4 defined stereocentres - 2/4 defined

Non-standard isotope
InChI=1/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10?,11?,13-/m1/s1/i3D2,4D2,5D2,6D2
C15H14D8FN3O6367.39944300
21235303

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m0/s1
C15H22FN3O6359.35013100
23975957

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10?,11+,13-/m1/s1
C15H22FN3O6359.35012100
35466826

2 of 4 defined stereocentres - 2/4 defined

Non-standard isotope
InChI=1/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10?,11?,13-/m1/s1/i1D3,3D2,4D2,5D2,6D2
C15H11D11FN3O6370.41792100
26399700

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11+,13?/m1/s1
C15H22FN3O6359.35012200
95600901

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1/i20D,21D/hD
C15H19D3FN3O6362.36861100
107442341

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10?,11?,13+/m1/s1
C15H22FN3O6359.35011100
111309540

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10+,11?,13-/m0/s1
C15H22FN3O6359.35011100
113608860

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11+,13+/m1/s1
C15H22FN3O6359.35011100
114391723

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10+,11+,13+/m0/s1
C15H22FN3O6359.35011100
114392732

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m0/s1/i1D3,3D2,4D2,5D2,6D2
C15H11D11FN3O6370.41791100
12

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