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 5 results

Search term: IRCMYGHHKLLGHV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
30816

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3
C13H18O5S286.3448113013
5760934

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3/t12-/m0/s1
C13H18O5S286.3448700
5760936

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3/t12-/m1/s1
C13H18O5S286.3447600
71048177

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3/i6+2,7+2,8+2,9+2,10+2,11+2
C714C6H18O5S298.29931100
110417522

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3/i1D3,5D2
C13H13D5O5S291.37481200

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