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 6 results

Search term: PGYHHLNKTGLNSE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2160377

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H24N4O3/c26-19(16-2-1-5-22-13-16)24-9-6-23(7-10-24)8-11-25-20(27)17-14-3-4-15(12-14)18(17)21(25)28/h1-5,13-15,17-18H,6-12H2
C21H24N4O3380.44026251100
5026169

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H24N4O3/c26-19(16-2-1-5-22-13-16)24-9-6-23(7-10-24)8-11-25-20(27)17-14-3-4-15(12-14)18(17)21(25)28/h1-5,13-15,17-18H,6-12H2/t14-,15+,17-,18-/m0/s1
C21H24N4O3380.44032100
5466000

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H24N4O3/c26-19(16-2-1-5-22-13-16)24-9-6-23(7-10-24)8-11-25-20(27)17-14-3-4-15(12-14)18(17)21(25)28/h1-5,13-15,17-18H,6-12H2/t14-,15+,17-,18+
C21H24N4O3380.44032100
10055341

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H24N4O3/c26-19(16-2-1-5-22-13-16)24-9-6-23(7-10-24)8-11-25-20(27)17-14-3-4-15(12-14)18(17)21(25)28/h1-5,13-15,17-18H,6-12H2/p+1/t14-,15-,17+,18+/m1/s1
C21H25N4O3381.44771100
5465999

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H24N4O3/c26-19(16-2-1-5-22-13-16)24-9-6-23(7-10-24)8-11-25-20(27)17-14-3-4-15(12-14)18(17)21(25)28/h1-5,13-15,17-18H,6-12H2/p+1/t14-,15-,17-,18+/m0/s1
C21H25N4O3381.44771100
3459581

Charge

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H24N4O3/c26-19(16-2-1-5-22-13-16)24-9-6-23(7-10-24)8-11-25-20(27)17-14-3-4-15(12-14)18(17)21(25)28/h1-5,13-15,17-18H,6-12H2/p+1
C21H25N4O3381.44821100

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