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 55 results

Search term: QKPLRMLTKYXDST (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2006052

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3-,4+,5-,6?;/m1./s1
C6H14ClNO5215.632065465281
2005837

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3-,4-,5-,6?;/m1./s1
C6H14ClNO5215.63206516700
8140073

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3+,4-,5-,6?;/m1./s1
C6H14ClNO5215.6321454700
2108664

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H
C6H14ClNO5215.63206248700
8034910

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3-,4-,5-,6-;/m1./s1
C6H14ClNO5215.6321202104
9656149

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3-,4-,5-,6+;/m1./s1
C6H14ClNO5215.632118112155
8140074

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3-,4+,5-,6+;/m1./s1
C6H14ClNO5215.6321123345
17341118

3 of 5 defined stereocentres - 3/5 defined

Non-standard isotope
InChI=1/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3-,4?,5-,6?;/m1./s1/i6+1;
C513CH14ClNO5216.624710600
28296185

4 of 5 defined stereocentres - 4/5 defined

Non-standard isotope
InChI=1/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3-,4-,5-,6?;/m1./s1/i6+1;
C513CH14ClNO5216.6247101400
52563115

4 of 5 defined stereocentres - 4/5 defined

Non-standard isotope
InChI=1/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3-,4+,5-,6?;/m1./s1/i6+1;
C513CH14ClNO5216.62476600
21111827

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2?,3?,4-,5+,6+;/m1./s1
C6H14ClNO5215.63215200
30988223

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2?,3-,4+,5?,6?;/m0./s1
C6H14ClNO5215.63214200
32696430

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2?,3-,4+,5+,6-;/m1./s1
C6H14ClNO5215.63214400
32821082

4 of 5 defined stereocentres - 4/5 defined

Non-standard isotope
InChI=1/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3-,4+,5-,6?;/m1./s1/i7+1;
C6H14Cl15NO5216.62554600
49071310

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3-,4-,5-,6+;/m1./s1/i6+1,7+1;
C513CH14Cl15NO5217.61813300
49071427

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3-,4-,5-,6+;/m1./s1/i7+1;
C6H14Cl15NO5216.62553300
21242798

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2?,3?,4-,5-,6u;/m0./s1
C6H14ClNO5215.63213300
77498380

4 of 5 defined stereocentres - 4/5 defined

Non-standard isotope
InChI=1/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3-,4-,5-,6?;/m1./s1/i1+1,2+1,3+1,4+1,5+1,6+1;
13C6H14ClNO5221.5883400
19951375

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3-,4+,5-,6-;/m1./s1
C6H14ClNO5215.63212100
2018372

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2?,3-,4-,5?,6-;/m1./s1
C6H14ClNO5215.632062200
123

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