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 18 results

Search term: ODKNJVUHOIMIIZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5586


3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
C9H11FN2O5246.192415559934511
3246

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)
C9H11FN2O5246.19244470100
23630242

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6-,7-/m1/s1
C9H11FN2O5246.1924191800
559053

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7?/m0/s1
C9H11FN2O5246.1924151200
21469484

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6-,7+/m1/s1
C9H11FN2O5246.192411400
4642576

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6-,7?/m1/s1
C9H11FN2O5246.192410900
5434174

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7-/m0/s1
C9H11FN2O5246.19248300
580865

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m1/s1
C9H11FN2O5246.19247300
396560

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1/i10-1
C9H1118FN2O5245.1955500
9142004

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6-,7-/m0/s1
C9H11FN2O5246.19244200
745449

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6-,7+/m0/s1
C9H11FN2O5246.19244300
793213

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7-/m1/s1
C9H11FN2O5246.19243200
77498984

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1/i9+1,11+1,12+1
C813CH11F15N2O5249.17193400
57268753

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1/i9+2
C814CH11FN2O5248.1852100
397033

0 of 3 defined stereocentres - 0/3 defined

Non-standard isotope
InChI=1/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/i10-1
C9H1118FN2O5245.1952200
58783706

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6-,7-/m1/s1/i9+1,11+1,12+1
C813CH11F15N2O5249.17191100
82963336

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5?,6?,7-/m1/s1
C9H11FN2O5246.19241100
114394460

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1/i2T
C9H10TFN2O5248.20061100

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