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 5 results

Search term: GSTKQPVPFHMJNK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
90068

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H14N2O6/c1-2-3-19-8-5-14(12(18)13-11(8)17)10-4-7(16)9(6-15)20-10/h1,5,7,9-10,15-16H,3-4,6H2,(H,13,17,18)/t7-,9+,10+/m0/s1
C12H14N2O6282.2494272000
283572

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C12H14N2O6/c1-2-3-19-8-5-14(12(18)13-11(8)17)10-4-7(16)9(6-15)20-10/h1,5,7,9-10,15-16H,3-4,6H2,(H,13,17,18)
C12H14N2O6282.24946400
29789422

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C12H14N2O6/c1-2-3-19-8-5-14(12(18)13-11(8)17)10-4-7(16)9(6-15)20-10/h1,5,7,9-10,15-16H,3-4,6H2,(H,13,17,18)/t7?,9-,10-/m1/s1
C12H14N2O6282.24942200
35518832

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H14N2O6/c1-2-3-19-8-5-14(12(18)13-11(8)17)10-4-7(16)9(6-15)20-10/h1,5,7,9-10,15-16H,3-4,6H2,(H,13,17,18)/t7-,9-,10-/m1/s1
C12H14N2O6282.24942300
62655129

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H14N2O6/c1-2-3-19-8-5-14(12(18)13-11(8)17)10-4-7(16)9(6-15)20-10/h1,5,7,9-10,15-16H,3-4,6H2,(H,13,17,18)/t7-,9-,10-/m0/s1
C12H14N2O6282.24942200

Advertisement