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 19 results

Search term: AGFIRQJZCNVMCW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
82616

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11BrN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1
C9H11BrN2O6323.0974100908136
206127

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C9H11BrN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)
C9H11BrN2O6323.0974294200
5429075

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11BrN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6+,8-/m1/s1
C9H11BrN2O6323.0974171100
2095677

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H11BrN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8?/m1/s1
C9H11BrN2O6323.097447400
4978555

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11BrN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m0/s1
C9H11BrN2O6323.09745400
62655030

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11BrN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6+,8-/m0/s1
C9H11BrN2O6323.09745500
5536871

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11BrN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8+/m1/s1
C9H11BrN2O6323.09743200
5426736

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11BrN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5+,6+,8-/m0/s1
C9H11BrN2O6323.09743200
5426737

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11BrN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5+,6+,8+/m0/s1
C9H11BrN2O6323.09742100
5426738

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11BrN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5+,6-,8-/m0/s1
C9H11BrN2O6323.09742100
5426739

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11BrN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5+,6-,8+/m0/s1
C9H11BrN2O6323.09742100
35518610

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H11BrN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5+,6?,8-/m1/s1
C9H11BrN2O6323.09742300
50644972

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11BrN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5+,6+,8-/m1/s1
C9H11BrN2O6323.09741100
58778638

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H11BrN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5?,6+,8-/m1/s1
C9H11BrN2O6323.09741100
110093600

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11BrN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5+,6-,8-/m1/s1
C9H11BrN2O6323.09741100
111308438

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H11BrN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5+,6?,8-/m0/s1
C9H11BrN2O6323.09741100
111311658

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C9H11BrN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5?,6?,8-/m0/s1
C9H11BrN2O6323.09741100
114394201

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C9H11BrN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5+,6?,8-/m1/s1/i9+2
C814CH11BrN2O6325.091100

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