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: LDCUBKKZHSYQTJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8014263

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11ClN2O6/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
C9H11ClN2O6278.64646735127
253092

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C9H11ClN2O6/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)
C9H11ClN2O6278.6464169125
23498772

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H11ClN2O6/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
C9H11ClN2O6278.646453125
20580708

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11ClN2O6/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
C9H11ClN2O6278.64644500
83228

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H11ClN2O6/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
C9H11ClN2O6278.64643200
57491840

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11ClN2O6/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
C9H11ClN2O6278.64642200
62666778

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11ClN2O6/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
C9H11ClN2O6278.64642200
111308395

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H11ClN2O6/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
C9H11ClN2O6278.64641100
111311657

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C9H11ClN2O6/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
C9H11ClN2O6278.64641100
29789181

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C9H11ClN2O6/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
C9H11ClN2O6278.64641100

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