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 25 results

Search term: IPVFGAYTKQKGBM (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
45627

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8-/m1/s1
C9H10FIN2O5372.089919510
4981061

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5-,6-,8-/m1/s1
C9H10FIN2O5372.089282100
110728

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5-,6-,8?/m1/s1
C9H10FIN2O5372.089232100
423266

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8-/m0/s1
C9H10FIN2O5372.0897400
570801

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8-/m1/s1/i11-3
C9H10F124IN2O5369.09076900
4435473

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5-,6-,8-/m0/s1
C9H10FIN2O5372.08897325500
23274445

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8-/m1/s1/i9+2
C814CH10FIN2O5374.08153200
9069265

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8-/m1/s1/i10-1
C9H1018FIN2O5371.09152200
21430871

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6?,8-/m1/s1
C9H10FIN2O5372.0892200
35518842

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6+,8-/m1/s1
C9H10FIN2O5372.0892300
62406319

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6+,8+/m1/s1
C9H10FIN2O5372.0892200
62406320

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5-,6+,8+/m1/s1
C9H10FIN2O5372.0892200
62406321

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5-,6-,8+/m0/s1
C9H10FIN2O5372.0892200
62406322

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5-,6+,8-/m1/s1
C9H10FIN2O5372.0892200
62406323

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8+/m0/s1
C9H10FIN2O5372.0892200
107441689

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8-/m1/s1/i9+1,12+1,13+1
C813CH10FI15N2O5375.06841100
114394274

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5?,6+,8-/m1/s1/i1+2,3+2,7+2,9+2
C514C4H10FIN2O5380.05911100
114394275

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5?,6+,8-/m1/s1/i9+2
C814CH10FIN2O5374.08151100
114394552

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5?,6+,8-/m1/s1/i9+1,12+1,13+1
C813CH10FI15N2O5375.06841100
23343050

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8-/m1/s1/i11-2
C9H10F125IN2O5370.08911100
12

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