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 7 results

Search term: IBYCYJFUEJQSMK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28547

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H17ClN2O/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,20)
C17H17ClN2O300.7827617720
20573867

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H17ClN2O/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,20)/t17-/m0/s1
C17H17ClN2O300.78274400
20573868

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H17ClN2O/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,20)/t17-/m1/s1
C17H17ClN2O300.78274500
48060540

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H17ClN2O/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,20)/i4D,5D,6D,7D,8D
C17H12D5ClN2O305.81354500
58782898

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H17ClN2O/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,20)/i2D3
C17H14D3ClN2O303.80124500
84400464

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H17ClN2O/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,20)/i2+1D3
C1613CH14D3ClN2O304.79384400
8789722

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H17ClN2O/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,20)/i17+2
C1614CH17ClN2O302.77522100

Advertisement