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 7 results

Search term: NYQWYYMEIBHRSB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2119480

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C13H21NO/c1-11-3-10-4-12(2,6-11)8-13(5-10,7-11)14-9-15/h9-10H,3-8H2,1-2H3,(H,14,15)
C13H21NO207.31194555200
57262896

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C13H21NO/c1-11-3-10-4-12(2,6-11)8-13(5-10,7-11)14-9-15/h9-10H,3-8H2,1-2H3,(H,14,15)/t10-,11+,12-,13-
C13H21NO207.31195400
76920360

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C13H21NO/c1-11-3-10-4-12(2,6-11)8-13(5-10,7-11)14-9-15/h9-10H,3-8H2,1-2H3,(H,14,15)/t10-,11+,12-,13-/i1D3,2D3
C13H15D6NO213.34893300
5425770

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C13H21NO/c1-11-3-10-4-12(2,6-11)8-13(5-10,7-11)14-9-15/h9-10H,3-8H2,1-2H3,(H,14,15)/t10?,11-,12+,13?
C13H21NO207.31193100
96739181

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C13H21NO/c1-11-3-10-4-12(2,6-11)8-13(5-10,7-11)14-9-15/h9-10H,3-8H2,1-2H3,(H,14,15)/t10-,11+,12-,13?
C13H21NO207.31191100
111314577

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C13H21NO/c1-11-3-10-4-12(2,6-11)8-13(5-10,7-11)14-9-15/h9-10H,3-8H2,1-2H3,(H,14,15)/t10-,11-,12+,13+/i1D3,2D3
C13H15D6NO213.34891100
129154703

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C13H21NO/c1-11-3-10-4-12(2,6-11)8-13(5-10,7-11)14-9-15/h9-10H,3-8H2,1-2H3,(H,14,15)/t10?,11-,12+,13+
C13H21NO207.31191100

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