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

Systemtic Name: calcium 2-(4-chloranyl-2-methyl-phenoxy)ethanoate Openeye Name: calcium 2-(4-chloro-2-methyl-phenoxy)acetate CAS Name: calcium 2-(4-chloro-2-methylphenoxy)acetate IUPAC Name: calcium 2-(4-chloro-2-methylphenoxy)acetate Traditional Name: calcium 2-(4-chloro-2-methyl-phenoxy)acetate Formula: C9H8CaClO3+ MolecularWeight: 239.68902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9ClO3.Ca/c1-6-4-7(10)2-3-8(6)13-5-9(11)12;/h2-4H,5H2,1H3,(H,11,12);/q;+2/p-1