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: BUXRLJCGHZZYNE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2653

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3
C12H17N3O219.28297817701
35147868

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3/i1D3,2D3,8D
C12H10D7N3O226.326172000
5036985

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3/t12-/m0/s1
C12H17N3O219.28298600
9086308

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3/t12-/m1/s1
C12H17N3O219.28295400

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