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 8 results

Search term: IGIDLTISMCAULB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7469

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
C6H12O2116.15831261441987
557447

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/t5-/m0/s1
C6H12O2116.1583875800
745875

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/t5-/m1/s1
C6H12O2116.1583653901
11207996

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/p-1
C6H11O2115.15094700
30773468

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/i1D3,2D3,3D2,4D2,5D
C6HD11O2127.22613200
122695859

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/i1D3,2D2,3D2,4D2,5D/hD
C6HD11O2127.22611100
5323435

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/p-1/t5-/m1/s1
C6H11O2115.150341100
5323436

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/p-1/t5-/m0/s1
C6H11O2115.150341100

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