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 13 results

Search term: LFYXNXGVLGKVCJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
16024

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3
C11H20O168.2759351220199
9237955

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3/t8-,10-,11-/m1/s1
C11H20O168.2759345100
23976421

0 of 3 defined stereocentres - 0/3 defined

Non-standard isotope
InChI=1/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3/i4D3
C11H17D3O171.294412400
9118079

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3/t8-,10-,11-/m0/s1
C11H20O168.2759101000
49072346

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3/t8-,10-,11-/m0/s1/i4D3
C11H17D3O171.29446700
21781935

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3/t8-,10-,11?/m0/s1
C11H20O168.27594400
30790802

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3/t8?,10?,11-/m1/s1
C11H20O168.27594500
62864895

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3/t8-,10+,11+/m1/s1
C11H20O168.27592100
60497962

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3/t8-,10+,11-/m1/s1/i4D3
C11H17D3O171.29442100
62388410

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3/t8-,10-,11+/m1/s1
C11H20O168.27591100
30772404

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3/t8?,10?,11-/m0/s1
C11H20O168.27591100
75711592

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3/t8-,10?,11-/m1/s1
C11H20O168.27591100

Advertisement