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: UFLBVEMEAYZXKY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
96928

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H13N3O4/c15-6-8-7(16)5-10(18-8)14-3-1-9-12-2-4-13(9)11(14)17/h1-4,7-8,10,15-16H,5-6H2/t7-,8+,10+/m0/s1
C11H13N3O4251.2386182200
77499355

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C11H13N3O4/c15-6-8-7(16)5-10(18-8)14-3-1-9-12-2-4-13(9)11(14)17/h1-4,7-8,10,15-16H,5-6H2/t7-,8+,10+/m0/s1/i11+1,13+1,14+1
C1013CH13N15N2O4254.21813500
29789735

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C11H13N3O4/c15-6-8-7(16)5-10(18-8)14-3-1-9-12-2-4-13(9)11(14)17/h1-4,7-8,10,15-16H,5-6H2/t7?,8-,10-/m1/s1
C11H13N3O4251.23861100
71116473

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H13N3O4/c15-6-8-7(16)5-10(18-8)14-3-1-9-12-2-4-13(9)11(14)17/h1-4,7-8,10,15-16H,5-6H2/t7-,8-,10-/m1/s1
C11H13N3O4251.23861100

Advertisement