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 24 results

Search term: MPCAJMNYNOGXPB (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58485

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1
C6H12O5164.1565892559215
392897

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4-,5-,6-/m1/s1
C6H12O5164.1565481981538
394212

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6-/m0/s1
C6H12O5164.1565147333
26326984

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m1/s1
C6H12O5164.1565121200
23977209

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3?,4?,5-,6-/m1/s1
C6H12O5164.15658600
9270112

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4-,5-,6+/m1/s1
C6H12O5164.15657603
10004413

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5-,6-/m1/s1
C6H12O5164.15656600
20000351

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4-,5+,6-/m1/s1
C6H12O5164.15655504
31045415

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4?,5+,6-/m0/s1
C6H12O5164.15654100
26326945

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6-/m1/s1
C6H12O5164.15653300
113060965

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1
13C6H12O5170.11242500
61406118

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5-,6+/m1/s1
C6H12O5164.15652200
61621771

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5?,6+/m0/s1
C6H12O5164.15652200
62478803

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4-,5+,6-/m0/s1
C6H12O5164.15652200
71117042

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3?,4?,5-,6+/m0/s1
C6H12O5164.15652200
77498850

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1/i1+1,2+1,3+1,5+1,6+1
C13C5H12O5169.11982100
107442605

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1/i2+1
C513CH12O5165.14912400
114724490

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3?,4?,5-,6-/m0/s1
C6H12O5164.15652200
111313513

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m1/s1/i1+1,2+1,3+1,5+1,6+1
C13C5H12O5169.11981100
113603862

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4-,5-,6-/m0/s1
C6H12O5164.15651100
12

Advertisement