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 27 results

Search term: ZWAOHEXOSAUJHY (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17322


4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6-,8-/m1/s1
C9H11FN2O5246.19241151213603
3047

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)
C9H11FN2O5246.19242242900
580859

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6-,8-/m0/s1
C9H11FN2O5246.192412900
21469657

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5+,6-,8-/m1/s1
C9H11FN2O5246.192410700
5142906

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6?,8?/m1/s1
C9H11FN2O5246.19249800
23498794

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5?,6+,8-/m1/s1
C9H11FN2O5246.1924833513
5408869

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6+,8-/m1/s1
C9H11FN2O5246.19247300
29341882

2 of 4 defined stereocentres - 2/4 defined

Non-standard isotope
InChI=1/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5?,6?,8-/m1/s1/i1D2
C9H9D2FN2O5248.20486400
5408867

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5+,6+,8-/m1/s1
C9H11FN2O5246.19245700
599929

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5+,6+,8+/m0/s1
C9H11FN2O5246.19244300
24589304

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6?,8-/m1/s1
C9H11FN2O5246.19244400
34978074

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6-,8+/m1/s1
C9H11FN2O5246.19243300
77498488

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6-,8-/m1/s1/i9+1,11+1,12+1
C813CH11F15N2O5249.17193400
5408870

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5+,6-,8+/m0/s1
C9H11FN2O5246.19242100
5408868

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6-,8+/m0/s1
C9H11FN2O5246.19242100
111313552

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5+,6-,8-/m0/s1/i1+1,3+1,5+1,6+1,8+1
C413C5H11FN2O5251.15571100
114391658

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5?,6?,8+/m1/s1
C9H11FN2O5246.19241100
114392848

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6-,8-/m1/s1/i1+1,3+1,5+1,6+1,8+1
C413C5H11FN2O5251.15571100
114394469

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6-,8-/m1/s1/i2T
C9H10TFN2O5248.20061100
114552580

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5?,6+,8?/m0/s1
C9H11FN2O5246.19241100
12

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