calcium 2-[4-(2-methylpropyl)phenyl]propanoic acid

Systemtic Name: calcium 2-[4-(2-methylpropyl)phenyl]propanoic acid Openeye Name: calcium 2-(4-isobutylphenyl)propanoic acid CAS Name: calcium 2-[4-(2-methylpropyl)phenyl]propanoic acid IUPAC Name: calcium 2-[4-(2-methylpropyl)phenyl]propanoic acid Traditional Name: calcium 2-(4-isobutylphenyl)propionic acid Formula: C13H18CaO2+2 MolecularWeight: 246.35882

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Descriptors Computed from Structure

Canonical SMILES:

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.[Ca+2]

InChI

InChI=1S/C13H18O2.Ca/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;/h4-7,9-10H,8H2,1-3H3,(H,14,15);/q;+2