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 2 results

Search term: GQIXCPWFKNTUMJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4587148

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C22H30BrN6O10P/c1-12(18(30)35-4)27-40(33,39-14-8-6-13(34-3)7-9-14)37-11-16-15(26-28-24)10-17(38-16)29-20(36-5)22(2,23)19(31)25-21(29)32/h6-9,12,15-17,20H,10-11H2,1-5H3,(H,27,33)(H,25,31,32)/t12-,15-,16+,17+,20?,22?,40?/m0/s1
C22H30BrN6O10P649.38563200
5292012

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C22H30BrN6O10P/c1-12(18(30)35-4)27-40(33,39-14-8-6-13(34-3)7-9-14)37-11-16-15(26-28-24)10-17(38-16)29-20(36-5)22(2,23)19(31)25-21(29)32/h6-9,12,15-17,20H,10-11H2,1-5H3,(H,27,33)(H,25,31,32)/t12?,15-,16+,17+,20?,22?,40?/m0/s1
C22H31BrN6O10P650.3935009999993200

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