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 6 results

Search term: KTXQKYNSEWRSDM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9047666

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H10FIN2O5/c10-3-2-13(9(17)12-7(3)16)8-6(15)5(14)4(1-11)18-8/h2,4-6,8,14-15H,1H2,(H,12,16,17)/t4-,5-,6-,8-/m1/s1
C9H10FIN2O5372.0895400
13249000

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C9H10FIN2O5/c10-3-2-13(9(17)12-7(3)16)8-6(15)5(14)4(1-11)18-8/h2,4-6,8,14-15H,1H2,(H,12,16,17)
C9H10FIN2O5372.0892100
24651935

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H10FIN2O5/c10-3-2-13(9(17)12-7(3)16)8-6(15)5(14)4(1-11)18-8/h2,4-6,8,14-15H,1H2,(H,12,16,17)/t4-,5-,6-,8?/m1/s1
C9H10FIN2O5372.0892200
62404295

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H10FIN2O5/c10-3-2-13(9(17)12-7(3)16)8-6(15)5(14)4(1-11)18-8/h2,4-6,8,14-15H,1H2,(H,12,16,17)/t4-,5+,6+,8-/m1/s1
C9H10FIN2O5372.0892200
96316895

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C9H10FIN2O5/c10-3-2-13(9(17)12-7(3)16)8-6(15)5(14)4(1-11)18-8/h2,4-6,8,14-15H,1H2,(H,12,16,17)/t4-,5?,6?,8-/m1/s1
C9H10FIN2O5372.0891100
107441450

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H10FIN2O5/c10-3-2-13(9(17)12-7(3)16)8-6(15)5(14)4(1-11)18-8/h2,4-6,8,14-15H,1H2,(H,12,16,17)/t4-,5-,6-,8-/m1/s1/i9+1,12+1,13+1
C813CH10FI15N2O5375.06841300

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