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 5 results

Search term: VQKQFRZEWUASTJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2018514

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C6H12N4O2/c1-6(5(12)10-8)2-3(6)4(11)9-7/h3H,2,7-8H2,1H3,(H,9,11)(H,10,12)
C6H12N4O2172.1850812700
5347115

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H12N4O2/c1-6(5(12)10-8)2-3(6)4(11)9-7/h3H,2,7-8H2,1H3,(H,9,11)(H,10,12)/t3-,6-/m1/s1
C6H12N4O2172.18519500
5347117

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H12N4O2/c1-6(5(12)10-8)2-3(6)4(11)9-7/h3H,2,7-8H2,1H3,(H,9,11)(H,10,12)/t3-,6+/m0/s1
C6H12N4O2172.18515300
5347118

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H12N4O2/c1-6(5(12)10-8)2-3(6)4(11)9-7/h3H,2,7-8H2,1H3,(H,9,11)(H,10,12)/t3-,6-/m0/s1
C6H12N4O2172.18513100
5347116

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H12N4O2/c1-6(5(12)10-8)2-3(6)4(11)9-7/h3H,2,7-8H2,1H3,(H,9,11)(H,10,12)/t3-,6+/m1/s1
C6H12N4O2172.18513100

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