calcium 2-[2,3-bis(chloranyl)-4-(2-methylidenebutanoyl)phenoxy]ethanoate

Systemtic Name: calcium 2-[2,3-bis(chloranyl)-4-(2-methylidenebutanoyl)phenoxy]ethanoate Openeye Name: calcium 2-[2,3-dichloro-4-(2-methylenebutanoyl)phenoxy]acetate CAS Name: calcium 2-[2,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy]acetate IUPAC Name: calcium 2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetate Traditional Name: calcium 2-[2,3-dichloro-4-(2-ethylacryloyl)phenoxy]acetate Formula: C13H11CaCl2O4+ MolecularWeight: 342.20804

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)[O-])Cl)Cl.[Ca+2]

Isomeric SMILES

CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)[O-])Cl)Cl.[Ca+2]

InChI

InChI=1S/C13H12Cl2O4.Ca/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);/q;+2/p-1