calcium 3-(4-hydroxyphenyl)propanoate

Systemtic Name: calcium 3-(4-hydroxyphenyl)propanoate Openeye Name: calcium 3-(4-hydroxyphenyl)propanoate CAS Name: calcium 3-(4-hydroxyphenyl)propanoate IUPAC Name: calcium 3-(4-hydroxyphenyl)propanoate Traditional Name: calcium 3-(4-hydroxyphenyl)propionate Formula: C18H18CaO6 MolecularWeight: 370.40992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)[O-])O.C1=CC(=CC=C1CCC(=O)[O-])O.[Ca+2]

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)[O-])O.C1=CC(=CC=C1CCC(=O)[O-])O.[Ca+2]

InChI

InChI=1S/2C9H10O3.Ca/c2*10-8-4-1-7(2-5-8)3-6-9(11)12;/h2*1-2,4-5,10H,3,6H2,(H,11,12);/q;;+2/p-2