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 14 results

Search term: JLPUXFOGCDVKGO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
27642

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m0/s1
C12H22O182.30254712820434
21169652

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m1/s1
C12H22O182.3025242300
1176

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3
C12H22O182.30252414702
99687

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12+/m0/s1
C12H22O182.302581300
23977191

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m0/s1/i2D3
C12H19D3O185.3217200
28566859

0 of 3 defined stereocentres - 0/3 defined

Non-standard isotope
InChI=1/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/i2D3
C12H19D3O185.3212100
19951548

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11-,12+/m0/s1
C12H22O182.30252200
78076020

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m0/s1/i5D2,6D,9D2/t6?,10-,11+,12-
C12H17D5O187.33332200
107443074

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m0/s1/i3+1,4+1,7+1,9+1,11+1,12+1
C613C6H22O188.25842200
78076044

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m1/s1/i2D3
C12H19D3O185.3211100
58782094

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m0/s1/i6+1,10+1
C1013C2H22O184.28781100
17243439

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m0/s1/i9D/t9?,10-,11+,12-
C12H21DO183.30861100
19951547

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11-,12-/m0/s1
C12H22O182.30251100

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