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: QZDHOBJINVXQCJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
119677

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H13N5O4/c19-5-8-7(20)4-9(22-8)18-6-15-10-11(18)16-13-14-2-1-3-17(13)12(10)21/h1-3,6-9,19-20H,4-5H2/t7-,8+,9-/m0/s1
C13H13N5O4303.27347400
77499211

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C13H13N5O4/c19-5-8-7(20)4-9(22-8)18-6-15-10-11(18)16-13-14-2-1-3-17(13)12(10)21/h1-3,6-9,19-20H,4-5H2/t7-,8+,9+/m0/s1/i1+1,2+1,3+1
C1013C3H13N5O4306.25143400
88296939

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C13H13N5O4/c19-5-8-7(20)4-9(22-8)18-6-15-10-11(18)16-13-14-2-1-3-17(13)12(10)21/h1-3,6-9,19-20H,4-5H2/t7-,8+,9?/m0/s1
C13H13N5O4303.27343200
52563202

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C13H13N5O4/c19-5-8-7(20)4-9(22-8)18-6-15-10-11(18)16-13-14-2-1-3-17(13)12(10)21/h1-3,6-9,19-20H,4-5H2
C13H13N5O4303.27341100
58780575

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H13N5O4/c19-5-8-7(20)4-9(22-8)18-6-15-10-11(18)16-13-14-2-1-3-17(13)12(10)21/h1-3,6-9,19-20H,4-5H2/t7-,8-,9-/m1/s1
C13H13N5O4303.27341100
58781585

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C13H13N5O4/c19-5-8-7(20)4-9(22-8)18-6-15-10-11(18)16-13-14-2-1-3-17(13)12(10)21/h1-3,6-9,19-20H,4-5H2/t7-,8-,9-/m1/s1/i1+1,2+1,3+1
C1013C3H13N5O4306.25141100

Advertisement