calcium 2-(3-phenoxyphenyl)propanoate

Systemtic Name: calcium 2-(3-phenoxyphenyl)propanoate Openeye Name: calcium 2-(3-phenoxyphenyl)propanoate CAS Name: calcium 2-(3-phenoxyphenyl)propanoate IUPAC Name: calcium 2-(3-phenoxyphenyl)propanoate Traditional Name: calcium 2-(3-phenoxyphenyl)propionate Formula: C30H26CaO6 MolecularWeight: 522.60184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)[O-].CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)[O-].[Ca+2]

Isomeric SMILES

CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)[O-].CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C15H14O3.Ca/c2*1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13;/h2*2-11H,1H3,(H,16,17);/q;;+2/p-2