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 4 results

Search term: BYLCMRZIJCIHAS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
145872

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H12N4O5/c9-7-3(8(16)11-12-10-7)6-5(15)4(14)2(1-13)17-6/h2,4-6,13-15H,1H2,(H3,9,10,11,16)/t2-,4-,5-,6+/m1/s1
C8H12N4O5244.204710700
23359922

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H12N4O5/c9-7-3(8(16)11-12-10-7)6-5(15)4(14)2(1-13)17-6/h2,4-6,13-15H,1H2,(H3,9,10,11,16)/t2-,4+,5+,6+/m1/s1
C8H12N4O5244.20477300
26469681

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C8H12N4O5/c9-7-3(8(16)11-12-10-7)6-5(15)4(14)2(1-13)17-6/h2,4-6,13-15H,1H2,(H3,9,10,11,16)
C8H12N4O5244.20472200
110806260

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C8H12N4O5/c9-7-3(8(16)11-12-10-7)6-5(15)4(14)2(1-13)17-6/h2,4-6,13-15H,1H2,(H3,9,10,11,16)/t2-,4-,5-,6?/m1/s1
C8H12N4O5244.20471100

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