calcium 2-oxidanyl-3-(2-phenylethanoyl)benzoate

Systemtic Name: calcium 2-oxidanyl-3-(2-phenylethanoyl)benzoate Openeye Name: calcium 2-hydroxy-3-(2-phenylacetyl)benzoate CAS Name: calcium 2-hydroxy-3-(1-oxo-2-phenylethyl)benzoate IUPAC Name: calcium 2-hydroxy-3-(2-phenylacetyl)benzoate Traditional Name: calcium 2-hydroxy-3-(2-phenylacetyl)benzoate Formula: C30H22CaO8 MolecularWeight: 550.56888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C15H12O4.Ca/c2*16-13(9-10-5-2-1-3-6-10)11-7-4-8-12(14(11)17)15(18)19;/h2*1-8,17H,9H2,(H,18,19);/q;;+2/p-2