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
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Found 6 results

Search term: RQDJADAKIFFEKQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
77712

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2
C19H17ClN4336.8181731025726919256
34448904

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2/t19-/m1/s1
C19H17ClN4336.81815500
34448905

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2/t19-/m0/s1
C19H17ClN4336.81814400
28295657

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2/i1D,2D,3D,4D,5D
C19H12D5ClN4341.84893700
71047801

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2/i14+2,15+2
C1714C2H17ClN4340.80321100
71048004

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2/i1+2,2+2,3+2,4+2,5+2,17+2
C1314C6H17ClN4348.77331100

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