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

Systemtic Name: calcium ethyl 2-(4-chloranylphenoxy)-2-methyl-propanoate Openeye Name: calcium ethyl 2-(4-chlorophenoxy)-2-methyl-propanoate CAS Name: calcium 2-(4-chlorophenoxy)-2-methylpropanoic acid ethyl ester IUPAC Name: calcium ethyl 2-(4-chlorophenoxy)-2-methylpropanoate Traditional Name: calcium 2-(4-chlorophenoxy)-2-methyl-propionic acid ethyl ester Formula: C24H30CaCl2O6+2 MolecularWeight: 525.4754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H15ClO3.Ca/c2*1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10;/h2*5-8H,4H2,1-3H3;/q;;+2