calcium 4-(4-methylphenyl)pentanoate

Systemtic Name: calcium 4-(4-methylphenyl)pentanoate Openeye Name: calcium 4-(p-tolyl)pentanoate CAS Name: calcium 4-(4-methylphenyl)pentanoate IUPAC Name: calcium 4-(4-methylphenyl)pentanoate Traditional Name: calcium 4-(p-tolyl)valerate Formula: C24H30CaO4 MolecularWeight: 422.5706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H16O2.Ca/c2*1-9-3-6-11(7-4-9)10(2)5-8-12(13)14;/h2*3-4,6-7,10H,5,8H2,1-2H3,(H,13,14);/q;;+2/p-2