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 9 results

Search term: XKABJYQDMJTNGQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
25973

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2
C9H11N3O177.20316428131114
19957766

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2/t9-/m0/s1
C9H11N3O177.2031346500
23936907

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2/i1D,3D,5D,7D
C9H7D4N3O181.2278182300
48062208

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2/t9-/m1/s1
C9H11N3O177.2031111200
34451935

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2/t9-/m0/s1/i1D,3D,5D,7D
C9H7D4N3O181.22785500
58784399

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2/i1+1,3+1,5+1,7+1,8+1,9+1
C313C6H11N3O183.15914600
58784742

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2/t9-/m1/s1/i1D,3D,5D,7D
C9H7D4N3O181.22782300
114394317

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2/t9-/m0/s1/i1T
C9H10TN3O179.21121100
114394333

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2/t9-/m1/s1/i1T
C9H10TN3O179.21121100

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