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 16 results

Search term: XNKLLVCARDGLGL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17270


2 of 2 defined stereocentres - 2/2 defined
InChI=1/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
C10H12N2O4224.2133160252173711
4971

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)
C10H12N2O4224.213356114700
635729

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8-/m0/s1
C10H12N2O4224.213310900
413007

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m1/s1
C10H12N2O4224.21338500
60497963

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1/i1D3,4D
C10H8D4N2O4228.23796500
399406

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8-/m1/s1
C10H12N2O4224.21335400
84400542

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1/i1+1D3
C913CH9D3N2O4228.22443300
57268138

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1/i10+2
C914CH12N2O4226.20582100
57268552

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1/i9+2
C914CH12N2O4226.20582100
8950908

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1/i8+2
C914CH12N2O4226.20582100
9217771

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1/i2+1,3+1,4+1,5+1,7+1,8+1,11+1,12+1
C413C6H1215N2O4232.1562100
48062018

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/i1D3
C10H9D3N2O4227.23181100
114394492

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1/i1T3
C10H9T3N2O4230.23761100
115009988

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1/i1+1
C913CH12N2O4225.20591100

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