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 12 results

Search term: PUEDDPCUCPRQNY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
141635

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H13NO6/c13-5-7-8(14)9(15)10(18-7)12-3-1-2-6(4-12)11(16)17/h1-4,7-10,13-15H,5H2/t7-,8-,9-,10-/m1/s1
C11H13NO6255.224283200
141636

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H13NO6/c13-5-7-8(14)9(15)10(18-7)12-3-1-2-6(4-12)11(16)17/h1-4,7-10,13-15H,5H2/p+1/t7-,8-,9-,10-/m1/s1
C11H14NO6256.2314101000
77498897

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C11H13NO6/c13-5-7-8(14)9(15)10(18-7)12-3-1-2-6(4-12)11(16)17/h1-4,7-10,13-15H,5H2/t7-,8-,9-,10-/m1/s1/i1D,2D,3D,4D
C11H9D4NO6259.24874500
96316924

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C11H13NO6/c13-5-7-8(14)9(15)10(18-7)12-3-1-2-6(4-12)11(16)17/h1-4,7-10,13-15H,5H2/t7-,8?,9?,10-/m1/s1
C11H13NO6255.2244400
3826456

Charge

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C11H13NO6/c13-5-7-8(14)9(15)10(18-7)12-3-1-2-6(4-12)11(16)17/h1-4,7-10,13-15H,5H2/p+1
C11H14NO6256.23143200
21211066

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C11H13NO6/c13-5-7-8(14)9(15)10(18-7)12-3-1-2-6(4-12)11(16)17/h1-4,7-10,13-15H,5H2/t7-,8-,9-,10-/m0/s1
C11H13NO6255.2242200
107448619

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C11H13NO6/c13-5-7-8(14)9(15)10(18-7)12-3-1-2-6(4-12)11(16)17/h1-4,7-10,13-15H,5H2/t7-,8-,9-,10-/m1/s1/i1+1,2+1,3+1,4+1,6+1,11+1
C513C6H13NO6261.17991100
114394213

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C11H13NO6/c13-5-7-8(14)9(15)10(18-7)12-3-1-2-6(4-12)11(16)17/h1-4,7-10,13-15H,5H2/t7-,8+,9?,10-/m1/s1/i11+2
C1014CH13NO6257.21661100

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