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 25 results

Search term: FHIDNBAQOFJWCA (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9056

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1
C9H11FN2O6262.191811910978731
91549

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6+,8-/m1/s1
C9H11FN2O6262.1918402500
1755

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)
C9H11FN2O6262.19183126178725
4435437

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m0/s1
C9H11FN2O6262.1918432111100
19951603

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5+,6-,8-/m1/s1
C9H11FN2O6262.191811500
5497452

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8+/m1/s1
C9H11FN2O6262.19187300
10587091

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6+,8+/m1/s1
C9H11FN2O6262.19186300
23630247

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5?,6+,8-/m1/s1
C9H11FN2O6262.19185100
35518590

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5+,6?,8-/m1/s1
C9H11FN2O6262.19184400
21390570

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8?/m1/s1
C9H11FN2O6262.19184278731
5415664

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5+,6+,8-/m0/s1
C9H11FN2O6262.19184200
5415665

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5+,6-,8-/m0/s1
C9H11FN2O6262.19184200
77499337

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1/i9+1,11+1,12+1
C813CH11F15N2O6265.17133200
24589305

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6?,8-/m1/s1
C9H11FN2O6262.19182200
5415666

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5+,6-,8+/m0/s1
C9H11FN2O6262.19182100
5145021

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6+,8+/m0/s1
C9H11FN2O6262.19182100
396561

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1/i10-1
C9H1118FN2O6261.19442200
397029

0 of 4 defined stereocentres - 0/4 defined

Non-standard isotope
InChI=1/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/i10-1
C9H1118FN2O6261.19442200
1250056

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5+,6+,8+/m0/s1
C9H11FN2O6262.19182100
111308266

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5+,6?,8-/m0/s1
C9H11FN2O6262.19181100
12

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