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: BRDWIEOJOWJCLU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28499294

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/t7-,9-,10-,12+/m1/s1
C12H13N5O4291.2627374200
114391216

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/t7-,9-,10-,12-/m1/s1
C12H13N5O4291.26272200
114642734

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/t7-,9-,10+,12+/m1/s1
C12H13N5O4291.26272200
128435184

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/t7-,9+,10-,12+/m1/s1
C12H13N5O4291.26272200
114811005

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/t7-,9-,10-,12+/m1/s1/i1D,2D,5+1D,14+1,15+1
C1113CH10D3N315N2O4297.26071200
122905309

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/t7-,9-,10-,12+/m0/s1
C12H13N5O4291.26271100
71116549

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/t7-,9?,10+,12+/m1/s1
C12H13N5O4291.26271100
113640389

0 of 4 defined stereocentres - 0/4 defined

Non-standard isotope
InChI=1/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/i1D,2D,3D2,5D,9D,10D
C12H6D7N5O4298.30591100
113640390

0 of 4 defined stereocentres - 0/4 defined

Non-standard isotope
InChI=1/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/i1D,2D,5D
C12H10D3N5O4294.28121100

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