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 16 results

Search term: LDDHMLJTFXJGPI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
157849

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H
C12H22ClN215.7628124147501
21395707

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H/t9-,10+,11-,12-;
C12H22ClN215.7628323500
68004072

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H/t9-,10+,11-,12-;/i1D3,2D3;
C12H16D6ClN221.7998101100
29305330

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H/t9?,10-,11+,12+;
C12H22ClN215.76288700
9404703

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H/t9?,10-,11+,12?;
C12H22ClN215.76286600
34979866

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H/t9-,10+,11-,12+;/i1D3,2D3;
C12H16D6ClN221.79986600
48060187

0 of 4 defined stereocentres - 0/4 defined

Non-standard isotope
InChI=1/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H/i1D3;
C12H19D3ClN218.78135400
34240200

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H/t9-,10-,11+,12-;
C12H22ClN215.76283200
76920426

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H/t9-,10+,11-,12-;/i1D3;/m1./s1
C12H19D3ClN218.78132200
114390319

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H/t9?,10-,11+,12+;/i1D3,2D3;
C12H16D6ClN221.79982200
129160598

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H/t9?,10-,11+,12-;/i1D3,2D3;
C12H16D6ClN221.79981100
129310933

1 of 4 defined stereocentres - 1/4 defined

Non-standard isotope
InChI=1/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H/t9?,10-,11?,12?;/m0./s1/i1D3,2D3;
C12H16D6ClN221.79981100
107441358

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H/t9-,10-,11-,12-;/m1./s1
C12H22ClN215.76281400
73312939

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H/t9-,10+,11-,12+;
C12H22ClN215.76281200
76713510

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H/t9-,10?,11?,12-;
C12H22ClN215.76281100

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