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 4 results

Search term: QAQFHSOGQBNKJZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
48058803

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C11H19NO5S/c1-4-17-10(14)5-7(2)18-6-9(11(15)16)12-8(3)13/h7,9H,4-6H2,1-3H3,(H,12,13)(H,15,16)/t7?,9-/m0/s1
C11H19NO5S277.33738600
77498668

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C11H19NO5S/c1-4-17-10(14)5-7(2)18-6-9(11(15)16)12-8(3)13/h7,9H,4-6H2,1-3H3,(H,12,13)(H,15,16)/t7?,9-/m1/s1
C11H19NO5S277.33734600
68023376

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C11H19NO5S/c1-4-17-10(14)5-7(2)18-6-9(11(15)16)12-8(3)13/h7,9H,4-6H2,1-3H3,(H,12,13)(H,15,16)
C11H19NO5S277.33733300
107441599

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C11H19NO5S/c1-4-17-10(14)5-7(2)18-6-9(11(15)16)12-8(3)13/h7,9H,4-6H2,1-3H3,(H,12,13)(H,15,16)/t7?,9-/m0/s1/i3D3
C11H16D3NO5S280.35572200

Advertisement