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 45 results

Search term: CIWBSHSKHKDKBQ (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10189562


2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
C6H8O6176.12411476559328914098
16736142

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5-/m1/s1
C6H8O6176.12418113000
10437567

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2
C6H8O6176.1241701357700
12283687

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m1/s1
C6H8O6176.1241268000
21111729

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2?,5-/m1/s1
C6H8O6176.1241171600
17206850

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5?/m0/s1
C6H8O6176.12411374328914098
49072459

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1/i4+1
C513CH8O6177.1168111000
21117682

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5-/m0/s1
C6H8O6176.1241101100
10239162

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/p-1/t2-,5+/m0/s1
C6H7O6175.116791200
48059491

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2?,5-/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1
13C6H8O6182.088600
48244800

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1
13C6H8O6182.088900
49071913

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1/i6+1
C513CH8O6177.11688600
58782026

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2?,5-/m1/s1/i1+1,6+1
C413C2H8O6178.10945400
58782074

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2?,5-/m1/s1/i6+1
C513CH8O6177.11685700
58782075

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2?,5-/m1/s1/i3+1
C513CH8O6177.11685600
58781867

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2?,5-/m1/s1/i4+1,6+1
C413C2H8O6178.10944600
58782127

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2?,5-/m1/s1/i3+1,6+1
C413C2H8O6178.10943300
49072466

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1/i3+1
C513CH8O6177.11683300
57425870

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5?/m1/s1
C6H8O6176.12413300
28528835

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2?,5-/m0/s1
C6H8O6176.124123300
123

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