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 4 results

Search term: XPRRFTHGWKHATR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
361599

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H17NO2/c15-13(16)12(11-7-3-1-4-8-11)14-9-5-2-6-10-14/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,15,16)
C13H17NO2219.2796614900
929877

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H17NO2/c15-13(16)12(11-7-3-1-4-8-11)14-9-5-2-6-10-14/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,15,16)/t12-/m1/s1
C13H17NO2219.27969600
929876

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H17NO2/c15-13(16)12(11-7-3-1-4-8-11)14-9-5-2-6-10-14/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,15,16)/t12-/m0/s1
C13H17NO2219.27964300
13777335

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H17NO2/c15-13(16)12(11-7-3-1-4-8-11)14-9-5-2-6-10-14/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,15,16)/p-1
C13H16NO2218.27221100

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