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: GJJFMKBJSRMPLA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
59245

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m1/s1
C15H22N2O246.348631153933
9797657

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3
C15H22N2O246.34838503933
5293005

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
C15H22N2O246.348335010
2298398

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15-/m0/s1
C15H22N2O246.3479810800
9804894

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15-/m1/s1
C15H22N2O246.3484300
78362001

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m1/s1/i1D3,2D3,3D2,4D2
C15H12D10N2O256.40961100
78362154

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15?/m1/s1
C15H22N2O246.3481100

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