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 17 results

Search term: PPKXEPBICJTCRU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
56711

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t14-,16+;/m1./s1
C16H26ClNO2299.83614781171661
8193224

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t14-,16+;/m0./s1
C16H26ClNO2299.8361293200
8147572

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H
C16H26ClNO2299.83612512400
56712

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t14-,16-;/m0./s1
C16H26ClNO2299.83614182300
29738776

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t14-,16+;/m1./s1/i1D3,2D3;
C16H20D6ClNO2305.8731112300
19968972

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t14-,16-;/m1./s1
C16H26ClNO2299.83619700
29738777

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t14-,16+;/m0./s1/i1D3,2D3;
C16H20D6ClNO2305.873181000
29738775

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t14?,16-;/m0./s1/i1D3,2D3;
C16H20D6ClNO2305.87316800
32679135

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t14-,16+;/m1./s1/i3+1D3;
C1513CH23D3ClNO2303.84733500
50644709

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t14?,16-;/m1./s1
C16H26ClNO2299.83612200
58784563

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t14-,16-;/m0./s1/i1D3,2D3;
C16H20D6ClNO2305.87312200
58784861

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t14-,16-;/m1./s1/i1D3,2D3;
C16H20D6ClNO2305.87312200
107563234

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t14?,16-;/m0./s1
C16H26ClNO2299.83612100
24533789

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/i1D3,2D3;
C16H20D6ClNO2305.87312300
27523911

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t14-,16+;/m1./s1/i3+1;
C1513CH26ClNO2300.82881100
129260812

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t14-,16+;/m1./s1/i3D3;
C16H23D3ClNO2302.85461500
29788291

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t14-,16?;/m1./s1
C16H26ClNO2299.83611100

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