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 15 results

Search term: SOLUWJRYJLAZCX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
44208822

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1
C21H18F3N3O5449.3799385000
71084205

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)
C21H18F3N3O5449.379991000
77498768

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1/i6D2,25+1
C21H16D2F3N215NO5452.38573500
77499052

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16-/m1/s1
C21H18F3N3O5449.37993300
82825507

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1/i6D2
C21H16D2F3N3O5451.39231200
107448385

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1/i3D,4D,6D2
C21H14D4F3N3O5453.40461100
107448389

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1/i3D,4D,6D2,8D2
C21H12D6F3N3O5455.41691100
111310657

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16-/m0/s1/i3D,4D,6D2,8D2
C21H12D6F3N3O5455.41691100
111310660

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16-/m0/s1/i3D,4D,6D2
C21H14D4F3N3O5453.40461100
111314133

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m1/s1/i6D2,25+1
C21H16D2F3N215NO5452.38571100
114391749

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11-,16+/m0/s1
C21H18F3N3O5449.37991100
114642381

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16-/m0/s1
C21H18F3N3O5449.37991100
128920101

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/p-1/t10-,11+,16+/m0/s1
C21H17F3N3O5448.37251100
129021870

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10?,11?,16-/m0/s1
C21H18F3N3O5449.37991100
129308831

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16?/m0/s1
C21H18F3N3O5449.37991100

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