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 12 results

Search term: XACKNLSZYYIACO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
59752

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1
C11H16N2O5256.2551647275
1748

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)
C11H16N2O5256.2551177100
407119

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9-/m0/s1
C11H16N2O5256.25518714
599921

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/m1/s1
C11H16N2O5256.25516400
2063907

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7?,8-,9-/m1/s1
C11H16N2O5256.255145800
26365741

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8-,9-/m1/s1
C11H16N2O5256.25514500
4674955

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9-/m1/s1
C11H16N2O5256.25512100
5415662

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8-,9-/m0/s1
C11H16N2O5256.25512100
5415663

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8-,9+/m0/s1
C11H16N2O5256.25512100
58785031

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7?,8-,9-/m1/s1/i1D3,2D2
C11H11D5N2O5261.2861100
107442898

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1/i1D3,2D2
C11H11D5N2O5261.2861300
111311588

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7?,8-,9-/m0/s1
C11H16N2O5256.25511100

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