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 8 results

Search term: XCLQOCSQUSRPDH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5428764

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H16N2O7/c1-7(16)20-6-10-9(21-8(2)17)5-12(22-10)15-4-3-11(18)14-13(15)19/h3-4,9-10,12H,5-6H2,1-2H3,(H,14,18,19)/t9-,10+,12+/m0/s1
C13H16N2O7312.2753362300
484130

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C13H16N2O7/c1-7(16)20-6-10-9(21-8(2)17)5-12(22-10)15-4-3-11(18)14-13(15)19/h3-4,9-10,12H,5-6H2,1-2H3,(H,14,18,19)
C13H16N2O7312.275315900
5428763

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H16N2O7/c1-7(16)20-6-10-9(21-8(2)17)5-12(22-10)15-4-3-11(18)14-13(15)19/h3-4,9-10,12H,5-6H2,1-2H3,(H,14,18,19)/t9-,10-,12-/m1/s1
C13H16N2O7312.27533100
5359757

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H16N2O7/c1-7(16)20-6-10-9(21-8(2)17)5-12(22-10)15-4-3-11(18)14-13(15)19/h3-4,9-10,12H,5-6H2,1-2H3,(H,14,18,19)/t9-,10+,12-/m1/s1
C13H16N2O7312.27532100
5428766

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H16N2O7/c1-7(16)20-6-10-9(21-8(2)17)5-12(22-10)15-4-3-11(18)14-13(15)19/h3-4,9-10,12H,5-6H2,1-2H3,(H,14,18,19)/t9-,10-,12+/m0/s1
C13H16N2O7312.27532100
9284939

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C13H16N2O7/c1-7(16)20-6-10-9(21-8(2)17)5-12(22-10)15-4-3-11(18)14-13(15)19/h3-4,9-10,12H,5-6H2,1-2H3,(H,14,18,19)/t9-,10+,12+/m0/s1/i9+1,10+1
C1113C2H16N2O7314.26062200
30650705

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C13H16N2O7/c1-7(16)20-6-10-9(21-8(2)17)5-12(22-10)15-4-3-11(18)14-13(15)19/h3-4,9-10,12H,5-6H2,1-2H3,(H,14,18,19)/t9-,10?,12?/m1/s1
C13H16N2O7312.27531100
57426678

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C13H16N2O7/c1-7(16)20-6-10-9(21-8(2)17)5-12(22-10)15-4-3-11(18)14-13(15)19/h3-4,9-10,12H,5-6H2,1-2H3,(H,14,18,19)/t9?,10-,12-/m1/s1
C13H16N2O7312.27531100

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