calcium 2-[4-(2-methylpropyl)phenyl]propanoate

Systemtic Name: calcium 2-[4-(2-methylpropyl)phenyl]propanoate Openeye Name: calcium 2-(4-isobutylphenyl)propanoate CAS Name: calcium 2-[4-(2-methylpropyl)phenyl]propanoate IUPAC Name: calcium 2-[4-(2-methylpropyl)phenyl]propanoate Traditional Name: calcium 2-(4-isobutylphenyl)propionate Formula: C26H34CaO4 MolecularWeight: 450.62376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C13H18O2.Ca/c2*1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;/h2*4-7,9-10H,8H2,1-3H3,(H,14,15);/q;;+2/p-2