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 29 results

Search term: SHFYXYMHVMDNPY (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2018943

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3+,4+,5-,6?/m1/s1
C6H11FO5182.1469432493503
107729

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3-,4+,5-,6?/m1/s1
C6H11FO5182.1469444103
5422673

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
C6H11FO5182.146910500
278998

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2
C6H11FO5182.14699700
5528422

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
C6H11FO5182.14697500
21469481

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3+,4+,5+,6?/m0/s1
C6H11FO5182.14697300
5538728

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
C6H11FO5182.14696400
2039732

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3+,4+,5-,6+/m1/s1
C6H11FO5182.14694326600
2063899

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2?,3-,4+,5?,6-/m1/s1
C6H11FO5182.14694323300
21469505

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3+,4-,5+,6?/m0/s1
C6H11FO5182.14693100
25056186

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3+,4+,5-,6?/m0/s1
C6H11FO5182.14693300
31043251

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3+,4-,5-,6-/m0/s1
C6H11FO5182.14693100
35518738

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3-,4+,5+,6?/m1/s1
C6H11FO5182.14693300
58804418

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3+,4+,5?,6?/m1/s1
C6H11FO5182.14692200
397436

0 of 5 defined stereocentres - 0/5 defined

Non-standard isotope
InChI=1/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/i7-1
C6H1118FO5181.14952200
8074660

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i7-1
C6H1118FO5181.14952200
61650124

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3+,4-,5+,6+/m0/s1
C6H11FO5182.14691100
61667255

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3+,4+,5-,6+/m0/s1
C6H11FO5182.14691100
76920294

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3+,4-,5-,6?/m0/s1
C6H11FO5182.14691100
111318927

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3-,4+,5-,6?/m0/s1
C6H11FO5182.14691100
12

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