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 10 results

Search term: JBDGDEWWOUBZPM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2047

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C13H18Br2N2O/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
C13H18Br2N2O378.1028823794353
10276826


2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H18Br2N2O/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/t10-,11-
C13H18Br2N2O378.10287367150
10276823

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H18Br2N2O/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/t10-,11+
C13H18Br2N2O378.1028191600
76920166

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C13H18Br2N2O/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/t10-,11-/i3D2,4D2,11D
C13H13D5Br2N2O383.1336121700
58780587

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C13H18Br2N2O/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/i3D2,4D2,11D
C13H13D5Br2N2O383.13364400
48057995

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C13H18Br2N2O/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/t10-,11+/i3D2,4D2,11D
C13H13D5Br2N2O383.13363300
5329331

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C13H18Br2N2O/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/p+1
C13H19Br2N2O379.110761100
95601141

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C13H18Br2N2O/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/t10-,11-/i18D/hD3
C13H14D4Br2N2O382.12751100
107449822

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C13H18Br2N2O/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/t10-,11-/i1D2,2D2,3D2,4D2,10D,11D
C13H8D10Br2N2O388.16441100
114392778

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C13H18Br2N2O/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/t10?,11-/i1D2,2D2,3D2,4D2,10D,11D
C13H8D10Br2N2O388.16441100

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