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 7 results

Search term: XXPDBLUZJRXNNZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5792

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H20N2S.ClH/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;/h4-11,13H,12H2,1-3H3;1H
C17H21ClN2S320.88111599035
48062404

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H20N2S.ClH/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;/h4-11,13H,12H2,1-3H3;1H/i2D3,3D3;
C17H15D6ClN2S326.917131400
24532101

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H20N2S.ClH/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;/h4-11,13H,12H2,1-3H3;1H/i6D,7D,8D,9D;
C17H17D4ClN2S324.9047121400
49071226

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H20N2S.ClH/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;/h4-11,13H,12H2,1-3H3;1H/i1D3,6D,7D,8D,9D;
C17H14D7ClN2S327.92326500
32679134

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H20N2S.ClH/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;/h4-11,13H,12H2,1-3H3;1H/i2D3;
C17H18D3ClN2S323.89855600
31043810

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H20N2S.ClH/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;/h4-11,13H,12H2,1-3H3;1H/t13-;/m0./s1
C17H21ClN2S320.884300
34993596

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H20N2S.ClH/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;/h4-11,13H,12H2,1-3H3;1H/t13-;/m1./s1
C17H21ClN2S320.883200

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