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 56 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
C6H12O5164.1565768510651702
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
C6H12O5164.1565516202
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
C6H12O5164.15652812910
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
C6H12O5164.1564821454900
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
C6H12O5164.1565131400
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
C513CH12O5165.1491131400
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
C6H12O5164.1565111200
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
C6H12O5164.1565935119199
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
C6H12O5164.15658700
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
C6H12O5164.15658800
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
C6H12O5164.15655300
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
C513CH12O5165.14915500
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
C6H12O5164.15655400
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
13C6H12O5170.11244800
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
C6H12O5164.15654400
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
C6H12O5164.15653300
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
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
C6H12O5164.15653125
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
C6H12O5164.15653200
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
C6H12O5164.15653200
123

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