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 3 results

Search term: JQQIKQWMRUJFLZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
469883

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C20H21N5O2/c1-3-4-15-16(13-5-7-14(27-2)8-6-13)19(11-22,12-23)18(10-21)9-20(15,24)25-17(18)26/h5-8,15-16H,3-4,9,24H2,1-2H3,(H,25,26)
C20H21N5O2363.413191200
1013719

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H21N5O2/c1-3-4-15-16(13-5-7-14(27-2)8-6-13)19(11-22,12-23)18(10-21)9-20(15,24)25-17(18)26/h5-8,15-16H,3-4,9,24H2,1-2H3,(H,25,26)/t15-,16+,18-,20+/m1/s1
C20H21N5O2363.4132100
5344441

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H21N5O2/c1-3-4-15-16(13-5-7-14(27-2)8-6-13)19(11-22,12-23)18(10-21)9-20(15,24)25-17(18)26/h5-8,15-16H,3-4,9,24H2,1-2H3,(H,25,26)/p+1/t15-,16+,18-,20+/m1/s1
C20H22N5O2364.42042200

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