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Ethacrynic Acid
Ethacrynic_acid synonyms
Mingit; Kyselina ethakrynova [Czech]; Kyselina 4-(2-(1-butenyl)karbonyl)-2,3-dichlorfenoxyoctova [Czech]; Etakrinic acid; Ethacrinique (acide); Ethacrynic acid [USAN:BAN]; Edecrina; Acide etacrynique [INN-French]; Acetic acid, (2,3-dichloro-4-(2-methylenebutyryl)phenoxy)-; Endecril; Ethacrynate
Graphical representations:
View large 3D structure
Molecular Formula: C13H12O4Cl2
Natural Isotopic Abundance Mass: 303.1379800000
Mono-Isotopic Molecular Masses:
- C12N14: 302.011264294
- C13N14: 315.054877185
- C12N15: 302.011264294
- C13N15: 315.054877185
InChI string: InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)
IUPAC: 2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid
PubChem Compound (CID): 3278KEGG Compound ID: C06983
CAS Registry number: 58-54-8 6500-81-8
NSC: 85791
EINECS: 200-384-1
HSDB: 2136
CCRIS: 4638
PDB Compound ID: EAA
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)