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 50 results

Search term: PMMURAAUARKVCB (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
388402

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5?,6+/m1/s1
C6H12O5164.15657411310651702
388857

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5?,6-/m1/s1
C6H12O5164.1565487402
8709

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5+,6+/m1/s1
C6H12O5164.15652713410
39

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2
C6H12O5164.1564821456000
393904

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5+,6-/m1/s1
C6H12O5164.1565131800
32819307

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5?,6+/m1/s1/i5+1
C513CH12O5165.1491111200
5414306

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5-,6+/m1/s1
C6H12O5164.1565101200
23089257

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5-,6-/m0/s1
C6H12O5164.1565995119199
393249

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4+,5?,6-/m0/s1
C6H12O5164.156581000
5414305

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5-,6-/m1/s1
C6H12O5164.15657700
21436183

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4?,5+,6-/m0/s1
C6H12O5164.15655500
26330274

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5-,6+/m0/s1
C6H12O5164.15655500
50644715

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4?,5?,6-/m0/s1
C6H12O5164.15654600
50645053

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5?,6+/m1/s1/i2+1
C513CH12O5165.14914500
58780883

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4?,5?,6-/m1/s1
C6H12O5164.15653300
95532185

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5?,6+/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1
13C6H12O5170.11243300
50644914

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4?,5?,6+/m0/s1
C6H12O5164.15653400
23089772

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5u,6+/m1/s1
C6H12O5164.15653325
10082805

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4+,5-,6+/m1/s1
C6H12O5164.15653300
4892605

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4+,5-,6-/m1/s1
C6H12O5164.15653300
123

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