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: IXDKFUBXESWHSL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
34959936

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H18N2O/c1-2-10(11-6-4-3-5-7-11)8-12-9-16-13(14)15-12/h3-7,10,12H,2,8-9H2,1H3,(H2,14,15)/t10-,12-/m0/s1
C13H18N2O218.2948151500
96353237

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C13H18N2O/c1-2-10(11-6-4-3-5-7-11)8-12-9-16-13(14)15-12/h3-7,10,12H,2,8-9H2,1H3,(H2,14,15)
C13H18N2O218.29486700
32686867

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H18N2O/c1-2-10(11-6-4-3-5-7-11)8-12-9-16-13(14)15-12/h3-7,10,12H,2,8-9H2,1H3,(H2,14,15)/t10-,12+/m1/s1
C13H18N2O218.29485400
34959854

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C13H18N2O/c1-2-10(11-6-4-3-5-7-11)8-12-9-16-13(14)15-12/h3-7,10,12H,2,8-9H2,1H3,(H2,14,15)/t10?,12-/m0/s1
C13H18N2O218.29483300
58784514

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C13H18N2O/c1-2-10(11-6-4-3-5-7-11)8-12-9-16-13(14)15-12/h3-7,10,12H,2,8-9H2,1H3,(H2,14,15)/t10-,12-/m0/s1/i9D2,13+1
C1213CH16D2N2O221.29982200
35523069

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H18N2O/c1-2-10(11-6-4-3-5-7-11)8-12-9-16-13(14)15-12/h3-7,10,12H,2,8-9H2,1H3,(H2,14,15)/t10-,12+/m0/s1
C13H18N2O218.29481100

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