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: QAXBVGVYDCAVLV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24714

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H17NOS/c1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14/h5,7,9,13H,2-4,6,8H2,1H3
C12H17NOS223.33455415860
5036748

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H17NOS/c1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14/h5,7,9,13H,2-4,6,8H2,1H3/t12-/m1/s1
C12H17NOS223.33454400
34996155

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H17NOS/c1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14/h5,7,9,13H,2-4,6,8H2,1H3/t12-/m0/s1
C12H17NOS223.33451100
78333889

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H17NOS/c1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14/h5,7,9,13H,2-4,6,8H2,1H3/i1D3,2D2
C12H12D5NOS228.36531100

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