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 8 results

Search term: PQIIAWFMYCQACX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
77772

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C9H11F2N3O3/c10-5-1-4(3-15)17-8(5)14-2-6(11)7(12)13-9(14)16/h2,4-5,8,15H,1,3H2,(H2,12,13,16)
C9H11F2N3O3247.19877600
20016897

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H11F2N3O3/c10-5-1-4(3-15)17-8(5)14-2-6(11)7(12)13-9(14)16/h2,4-5,8,15H,1,3H2,(H2,12,13,16)/t4-,5-,8+/m0/s1
C9H11F2N3O3247.19874645600
415725

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H11F2N3O3/c10-5-1-4(3-15)17-8(5)14-2-6(11)7(12)13-9(14)16/h2,4-5,8,15H,1,3H2,(H2,12,13,16)/t4-,5+,8-/m0/s1
C9H11F2N3O3247.19875400
415729

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H11F2N3O3/c10-5-1-4(3-15)17-8(5)14-2-6(11)7(12)13-9(14)16/h2,4-5,8,15H,1,3H2,(H2,12,13,16)/t4-,5+,8-/m1/s1
C9H11F2N3O3247.19874300
415732

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H11F2N3O3/c10-5-1-4(3-15)17-8(5)14-2-6(11)7(12)13-9(14)16/h2,4-5,8,15H,1,3H2,(H2,12,13,16)/t4-,5+,8+/m1/s1
C9H11F2N3O3247.19874400
398326

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H11F2N3O3/c10-5-1-4(3-15)17-8(5)14-2-6(11)7(12)13-9(14)16/h2,4-5,8,15H,1,3H2,(H2,12,13,16)/t4-,5+,8+/m0/s1
C9H11F2N3O3247.19874700
409922

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H11F2N3O3/c10-5-1-4(3-15)17-8(5)14-2-6(11)7(12)13-9(14)16/h2,4-5,8,15H,1,3H2,(H2,12,13,16)/t4-,5-,8+/m1/s1
C9H11F2N3O3247.19873200
19972257

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C9H11F2N3O3/c10-5-1-4(3-15)17-8(5)14-2-6(11)7(12)13-9(14)16/h2,4-5,8,15H,1,3H2,(H2,12,13,16)/t4-,5-,8?/m0/s1
C9H11F2N3O3247.19871100

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