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 8 results

Search term: VXTGHWHFYNYFFV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
75767

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
C12H15N3O3S281.33081142971171
35147866

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)/i2D3
C12H12D3N3O3S284.3493222200
21865413

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)/t19-/m1/s1
C12H15N3O3S281.330810900
21537324

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)/t19-/m0/s1
C12H15N3O3S281.33087600
58782490

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)/i1D3,3D2,6D2
C12H8D7N3O3S288.37395700
110801205

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)/i1D3,3D2
C12H10D5N3O3S286.36161100

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