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
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Found 8 results

Search term: ZMRUPTIKESYGQW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
56610

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H
C16H22ClNO2295.80441341126840
144817

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H/t14-;/m0./s1
C16H22ClNO2295.80448010448129
59743

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H/t14-;/m1./s1
C16H22ClNO2295.8044627606
29738782

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H/i1D3,2D3,12D;
C16H15D7ClNO2302.8475151500
48062959

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H/t14-;/m1./s1/i1D3,2D3,12D;
C16H15D7ClNO2302.84756700
48062960

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H/t14-;/m0./s1/i1D3,2D3,12D;
C16H15D7ClNO2302.84754400
58828460

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H/i16+2;
C1514CH22ClNO2297.79692300

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