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: PTVWPYVOOKLBCG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3057

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2
C13H20N2O2236.3101125139200
59270

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2/t13-/m0/s1
C13H20N2O2236.310110294400
599912

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2/t13-/m1/s1
C13H20N2O2236.3101423400
58782874

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2/i6D2,7D2
C13H16D4N2O2240.33475600
58782907

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2/t13-/m1/s1/i6D2,7D2
C13H16D4N2O2240.33473400
58783196

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2/t13-/m0/s1/i6D2,7D2
C13H16D4N2O2240.33472500
115011016

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2/t13-/m0/s1/i6D2,7D2,8D2,9D2
C13H12D8N2O2244.35941100
5294347

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2/p+1/t13-/m0/s1
C13H21N2O2237.318041100
5296643

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2/p+1/t13-/m1/s1
C13H21N2O2237.318041100

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