calcium 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate

Systemtic Name: calcium 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate Openeye Name: calcium 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoate CAS Name: calcium 2-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-2-methylpropanoate IUPAC Name: calcium 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate Traditional Name: calcium 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propionate Formula: C34H28CaCl2O8 MolecularWeight: 675.56532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)[O-])OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl.CC(C)(C(=O)[O-])OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl.[Ca+2]

Isomeric SMILES

CC(C)(C(=O)[O-])OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl.CC(C)(C(=O)[O-])OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl.[Ca+2]

InChI

InChI=1S/2C17H15ClO4.Ca/c2*1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11;/h2*3-10H,1-2H3,(H,20,21);/q;;+2/p-2