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: KGGHFQUWHIYZEJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4401675

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C6H13N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h4-5,8-9H,1-3,7H2,(H,10,11)
C6H13N3O2159.186324300
22906249

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C6H13N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h4-5,8-9H,1-3,7H2,(H,10,11)/t4?,5-/m0/s1
C6H13N3O2159.18634300
49071131

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C6H13N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h4-5,8-9H,1-3,7H2,(H,10,11)/t4?,5-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1
13C6H1315N3O2168.12254400
115041218

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C6H13N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h4-5,8-9H,1-3,7H2,(H,10,11)/t4?,5-/m1/s1
C6H13N3O2159.18631100
4401674

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C6H13N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h4-5,8-9H,1-3,7H2,(H,10,11)/p+1
C6H14N3O2160.194261100

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