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 5 results

Search term: HJKSCXIFBAAKTA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
171099

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H19BrN2O6/c1-3-12(13)9(18)14-11(19)15(10(12)20-2)8-4-6(17)7(5-16)21-8/h6-8,10,16-17H,3-5H2,1-2H3,(H,14,18,19)/t6-,7+,8+,10+,12-/m0/s1
C12H19BrN2O6367.19315500
4982605

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H19BrN2O6/c1-3-12(13)9(18)14-11(19)15(10(12)20-2)8-4-6(17)7(5-16)21-8/h6-8,10,16-17H,3-5H2,1-2H3,(H,14,18,19)/t6-,7+,8+,10-,12+/m0/s1
C12H19BrN2O6367.19314300
28422115

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C12H19BrN2O6/c1-3-12(13)9(18)14-11(19)15(10(12)20-2)8-4-6(17)7(5-16)21-8/h6-8,10,16-17H,3-5H2,1-2H3,(H,14,18,19)
C12H19BrN2O6367.19313300
57476694

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C12H19BrN2O6/c1-3-12(13)9(18)14-11(19)15(10(12)20-2)8-4-6(17)7(5-16)21-8/h6-8,10,16-17H,3-5H2,1-2H3,(H,14,18,19)/t6-,7+,8+,10?,12?/m1/s1
C12H19BrN2O6367.19311100
19994465

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C12H19BrN2O6/c1-3-12(13)9(18)14-11(19)15(10(12)20-2)8-4-6(17)7(5-16)21-8/h6-8,10,16-17H,3-5H2,1-2H3,(H,14,18,19)/t6-,7+,8+,10?,12?/m0/s1
C12H19BrN2O6367.19311100

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