calcium 2-[4-(3-methylbut-2-enyl)phenyl]propanoate

Systemtic Name: calcium 2-[4-(3-methylbut-2-enyl)phenyl]propanoate Openeye Name: calcium 2-[4-(3-methylbut-2-enyl)phenyl]propanoate CAS Name: calcium 2-[4-(3-methylbut-2-enyl)phenyl]propanoate IUPAC Name: calcium 2-[4-(3-methylbut-2-enyl)phenyl]propanoate Traditional Name: calcium 2-[4-(3-methylbut-2-enyl)phenyl]propionate Formula: C28H34CaO4 MolecularWeight: 474.64516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C14H18O2.Ca/c2*1-10(2)4-5-12-6-8-13(9-7-12)11(3)14(15)16;/h2*4,6-9,11H,5H2,1-3H3,(H,15,16);/q;;+2/p-2