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: BTNKSMIZKSHDNT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
83130

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C9H16ClN3O3/c10-5-6-13(12-16)9(15)11-7-1-3-8(14)4-2-7/h7-8,14H,1-6H2,(H,11,15)
C9H16ClN3O3249.6946222900
19973304

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H16ClN3O3/c10-5-6-13(12-16)9(15)11-7-1-3-8(14)4-2-7/h7-8,14H,1-6H2,(H,11,15)/t7-,8+
C9H16ClN3O3249.69468800
115010044

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C9H16ClN3O3/c10-5-6-13(12-16)9(15)11-7-1-3-8(14)4-2-7/h7-8,14H,1-6H2,(H,11,15)/t7-,8-/i5D2,6D2
C9H12D4ClN3O3253.71937800
19973305

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H16ClN3O3/c10-5-6-13(12-16)9(15)11-7-1-3-8(14)4-2-7/h7-8,14H,1-6H2,(H,11,15)/t7-,8-
C9H16ClN3O3249.69466800
107450173

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C9H16ClN3O3/c10-5-6-13(12-16)9(15)11-7-1-3-8(14)4-2-7/h7-8,14H,1-6H2,(H,11,15)/t7-,8+/i5D2,6D2
C9H12D4ClN3O3253.71932200
107444220

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C9H16ClN3O3/c10-5-6-13(12-16)9(15)11-7-1-3-8(14)4-2-7/h7-8,14H,1-6H2,(H,11,15)/t7-,8+/i1D2,2D2,3D,4D2,7D,8D/t3?,7-,8+/m0/s1
C9H7D9ClN3O3258.75011100
107444221

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C9H16ClN3O3/c10-5-6-13(12-16)9(15)11-7-1-3-8(14)4-2-7/h7-8,14H,1-6H2,(H,11,15)/t7-,8-/i1D2,2D2,3D,4D2,7D,8D/t3?,7-,8-/m1/s1
C9H7D9ClN3O3258.75011100

Advertisement