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 20 results

Search term: BVHLGVCQOALMSV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
62772

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1
C6H15ClN2O2182.648512021504
11550

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H
C6H15ClN2O2182.6485111245055
73710

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m1./s1
C6H15ClN2O2182.64851067500
17345083

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1/i1+1,2+1,3+1,4+1,5+1,6+1;
13C6H15ClN2O2188.6044161800
24533490

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1/i1D2,2D2;
C6H11D4ClN2O2186.6731162000
17345094

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1/i7+1,8+1;
C6H15Cl15N2O2184.6353121100
24532685

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1/i1D2,2D2,3D2,4D2;
C6H7D8ClN2O2190.6978111300
28296223

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1/i5+1;
C513CH15ClN2O2183.6412111300
49071321

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1/i4+1;
C513CH15ClN2O2183.6412111100
49071153

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1;
13C6H15Cl15N2O2190.591291200
24533638

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1/i1D2,2D2,3D2,4D2,5D;
C6H6D9ClN2O2191.7049800
24533711

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1/i4D2,5D;
C6H12D3ClN2O2185.66781300
17345092

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1/i8+1;
C6H15ClN15NO2183.64197700
49071320

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1/i6+1;
C513CH15ClN2O2183.64124500
49071433

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1/i7+1;
C6H15ClN15NO2183.64194300
49071322

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1/i4+1,7+1;
C513CH15ClN15NO2184.63463300
25196736

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m1./s1/i1D2,2D2;
C6H11D4ClN2O2186.67313200
11358718

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/p-1
C6H14ClN2O2181.64111200
111313746

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m1./s1/i1D2,2D2,3D2,4D2;
C6H7D8ClN2O2190.69781100

Advertisement