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: AJSWZPYPFFRYMJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
95751587

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H22N6O5S2/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27/h3,5,7,10,19-20,30H,2,4,6,8-9H2,1H3,(H2-,23,24,31,32)/b25-16+,26-15+
C22H22N6O5S2514.57731100
95751588

Charge

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H22N6O5S2/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27/h3,5,7,10,19-20,30H,2,4,6,8-9H2,1H3,(H2-,23,24,31,32)/p+1/b25-16+,26-15+
C22H23N6O5S2515.58471100

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