calcium 2-(4-chloranyl-2-methyl-phenoxy)propanoate

Systemtic Name: calcium 2-(4-chloranyl-2-methyl-phenoxy)propanoate Openeye Name: calcium 2-(4-chloro-2-methyl-phenoxy)propanoate CAS Name: calcium 2-(4-chloro-2-methylphenoxy)propanoate IUPAC Name: calcium 2-(4-chloro-2-methylphenoxy)propanoate Traditional Name: calcium 2-(4-chloro-2-methyl-phenoxy)propionate Formula: C20H20CaCl2O6 MolecularWeight: 467.3532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)[O-].CC1=C(C=CC(=C1)Cl)OC(C)C(=O)[O-].[Ca+2]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)[O-].CC1=C(C=CC(=C1)Cl)OC(C)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C10H11ClO3.Ca/c2*1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;/h2*3-5,7H,1-2H3,(H,12,13);/q;;+2/p-2