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: BMFMQGXDDJALKQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
140984

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H13N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h4,10H,1-3H2,(H,11,12)(H4,7,8,9)/t4-/m0/s1
C6H13N3O3175.1857564500
209618

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H13N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h4,10H,1-3H2,(H,11,12)(H4,7,8,9)
C6H13N3O3175.1857212000
58815183

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H13N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h4,10H,1-3H2,(H,11,12)(H4,7,8,9)/t4-/m1/s1
C6H13N3O3175.185710500
107445197

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H13N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h4,10H,1-3H2,(H,11,12)(H4,7,8,9)/t4-/m1/s1/i1+1,2+1,3+1,4+1,5+1
C13C5H13N3O3180.1492200
107439145

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C6H13N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h4,10H,1-3H2,(H,11,12)(H4,7,8,9)/i1+1,2+1,3+1,4+1,5+1
C13C5H13N3O3180.1491100
107445038

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H13N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h4,10H,1-3H2,(H,11,12)(H4,7,8,9)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1
13C6H13N3O3181.14161200

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