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 6 results

Search term: QNVKOSLOVOTXKF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
18567122

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H18Br2N2O.ClH/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10;/h5-6,10-11,17-18H,1-4,7,16H2;1H/t10-,11-;
C13H19Br2ClN2O414.5638768300
97125

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C13H18Br2N2O.ClH/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10;/h5-6,10-11,17-18H,1-4,7,16H2;1H
C13H19Br2ClN2O414.56386693520
27524695

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H18Br2N2O.ClH/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10;/h5-6,10-11,17-18H,1-4,7,16H2;1H/t10-,11+;
C13H19Br2ClN2O414.5638141400
94270029

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C13H18Br2N2O.ClH/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10;/h5-6,10-11,17-18H,1-4,7,16H2;1H/t10-,11-;/i3D2,4D2,11D;
C13H14D5Br2ClN2O419.59469800
23646497

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C13H18Br2N2O.ClH/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10;/h5-6,10-11,17-18H,1-4,7,16H2;1H/t10?,11-;
C13H19Br2ClN2O414.56386200
71357883

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C13H18Br2N2O.ClH/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10;/h5-6,10-11,17-18H,1-4,7,16H2;1H/t10-,11?;
C13H19Br2ClN2O414.56381200

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