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: VPNGEIHDPSLNMU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
61867

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H
C13H17ClN2236.74059512800
5293298

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H/t11-;/m0./s1
C13H17ClN2236.74058678171
110194

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H/t11-;/m1./s1
C13H17ClN2236.7405352600
48060090

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H/i3+1D3;
C1213CH14D3ClN2240.7516121300
57530404

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H/i3D3;
C13H14D3ClN2239.759101100
57268362

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H/i3+1;
C1213CH17ClN2237.73314300
115010128

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H/t11-;/m1./s1/i3+1D3;
C1213CH14D3ClN2240.75161100
115010930

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H/t11-;/m0./s1/i3+1D3;
C1213CH14D3ClN2240.75161100

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