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 2 results

Search term: LBUVUUULPARXFB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
107444215

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C23H28F2N6O4S/c1-2-7-36-23-27-21(26)18-22(28-23)31(30-29-18)15-10-17(20(33)19(15)32)35-6-5-34-16-9-12(16)11-3-4-13(24)14(25)8-11/h3-4,8,12,15-17,19-20,32-33H,2,5-7,9-10H2,1H3,(H2,26,27,28)/t12?,15-,16?,17+,19+,20-/m1/s1
C23H28F2N6O4S522.5681100
107444216

4 of 6 defined stereocentres - 4/6 defined

Non-standard isotope
InChI=1/C23H28F2N6O4S/c1-2-7-36-23-27-21(26)18-22(28-23)31(30-29-18)15-10-17(20(33)19(15)32)35-6-5-34-16-9-12(16)11-3-4-13(24)14(25)8-11/h3-4,8,12,15-17,19-20,32-33H,2,5-7,9-10H2,1H3,(H2,26,27,28)/t12?,15-,16?,17+,19+,20-/m1/s1/i1D3,2D2,7D2
C23H21D7F2N6O4S529.61121100

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