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
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Found 23 results

Search term: PSSHGMIAIUYOJF (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8419832

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8-,9+,12+/m1/s1
C12H20O6260.2836656100
308849

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3
C12H20O6260.283614900
21112459

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8-,9?,12+/m0/s1
C12H20O6260.283610700
9131507

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8-,9+,12+/m0/s1
C12H20O6260.28365300
24589477

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8-,9-,12+/m1/s1
C12H20O6260.28364400
32697267

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8-,9-,12-/m1/s1
C12H20O6260.28364200
58178072

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8-,9?,12+/m1/s1
C12H20O6260.28364400
24680687

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8?,9?,12+/m1/s1
C12H20O6260.28363300
23935970

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8-,9+,12+/m1/s1/i1D3,2D3,3D3,4D3
C12H8D12O6272.35753500
23977301

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7?,8?,9-,12-/m0/s1
C12H20O6260.28363200
9142442

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8-,9+,12-/m1/s1
C12H20O6260.28362100
29786486

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8+,9+,12+/m1/s1
C12H20O6260.28362100
62300134

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8+,9+,12-/m0/s1
C12H20O6260.28362200
62300155

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8-,9-,12-/m0/s1
C12H20O6260.28362200
107443489

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8-,9-,12?/m0/s1
C12H20O6260.28361200
111309061

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8?,9-,12+/m1/s1/i1D3,2D3,3D3,4D3
C12H8D12O6272.35751100
111309065

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8?,9-,12+/m1/s1
C12H20O6260.28361100
113606707

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8+,9+,12+/m0/s1
C12H20O6260.28361100
114810900

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8-,9+,12+/m1/s1/i1+1,2+1,3+1,4+1,10+1,11+1
C613C6H20O6266.23951400
35518873

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8-,9-,12?/m1/s1
C12H20O6260.28361100
12

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