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 10 results

Search term: YMBXTVYHTMGZDW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3828

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)
C15H18O3246.30161211731311
5036207

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)/t10-,13+/m1/s1
C15H18O3246.3016161300
25026331

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)/p-1
C15H17O3245.29424400
32797605

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)/t10-,13+/m0/s1
C15H18O3246.30163200
32809805

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)/t10-,13-/m1/s1
C15H18O3246.30162100
32809806

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)/t10-,13-/m0/s1
C15H18O3246.30162100
58782394

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)/i1D3
C15H15D3O3249.32012500
115008862

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)/i2D2,3D2
C15H14D4O3250.32631100

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