calcium 2-(4-chloranylphenoxy)-2-methyl-propanoate hydrate

Systemtic Name: calcium 2-(4-chloranylphenoxy)-2-methyl-propanoate hydrate Openeye Name: calcium 2-(4-chlorophenoxy)-2-methyl-propanoate hydrate CAS Name: calcium 2-(4-chlorophenoxy)-2-methylpropanoate hydrate IUPAC Name: calcium 2-(4-chlorophenoxy)-2-methylpropanoate hydrate Traditional Name: calcium 2-(4-chlorophenoxy)-2-methyl-propionate hydrate Formula: C20H22CaCl2O7 MolecularWeight: 485.36848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)[O-])OC1=CC=C(C=C1)Cl.CC(C)(C(=O)[O-])OC1=CC=C(C=C1)Cl.O.[Ca+2]

Isomeric SMILES

CC(C)(C(=O)[O-])OC1=CC=C(C=C1)Cl.CC(C)(C(=O)[O-])OC1=CC=C(C=C1)Cl.O.[Ca+2]

InChI

InChI=1S/2C10H11ClO3.Ca.H2O/c2*1-10(2,9(12)13)14-8-5-3-7(11)4-6-8;;/h2*3-6H,1-2H3,(H,12,13);;1H2/q;;+2;/p-2