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 8 results

Search term: IKKXOSBHLYMWAE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4983885

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H12FN5O3/c1-2-12(4-19)6(20)3-7(21-12)18-5-15-8-9(14)16-11(13)17-10(8)18/h1,5-7,19-20H,3-4H2,(H2,14,16,17)/t6-,7+,12+/m0/s1
C12H12FN5O3293.2538373500
57646660

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H12FN5O3/c1-2-12(4-19)6(20)3-7(21-12)18-5-15-8-9(14)16-11(13)17-10(8)18/h1,5-7,19-20H,3-4H2,(H2,14,16,17)/t6-,7-,12-/m1/s1
C12H12FN5O3293.25388600
77450078

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C12H12FN5O3/c1-2-12(4-19)6(20)3-7(21-12)18-5-15-8-9(14)16-11(13)17-10(8)18/h1,5-7,19-20H,3-4H2,(H2,14,16,17)/t6-,7?,12?/m1/s1
C12H12FN5O3293.25382100
31083266

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C12H12FN5O3/c1-2-12(4-19)6(20)3-7(21-12)18-5-15-8-9(14)16-11(13)17-10(8)18/h1,5-7,19-20H,3-4H2,(H2,14,16,17)/t6?,7-,12-/m1/s1
C12H12FN5O3293.25382100
57577941

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C12H12FN5O3/c1-2-12(4-19)6(20)3-7(21-12)18-5-15-8-9(14)16-11(13)17-10(8)18/h1,5-7,19-20H,3-4H2,(H2,14,16,17)/t6-,7?,12+/m0/s1
C12H12FN5O3293.25382100
16119010

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C12H12FN5O3/c1-2-12(4-19)6(20)3-7(21-12)18-5-15-8-9(14)16-11(13)17-10(8)18/h1,5-7,19-20H,3-4H2,(H2,14,16,17)
C12H12FN5O3293.25381100
114394363

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C12H12FN5O3/c1-2-12(4-19)6(20)3-7(21-12)18-5-15-8-9(14)16-11(13)17-10(8)18/h1,5-7,19-20H,3-4H2,(H2,14,16,17)/t6-,7+,12+/m0/s1/i5T
C12H11TFN5O3295.26191100

Advertisement