calcium; 2-oxidanyl-2-phenyl-ethanoate; (2S)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: calcium; 2-oxidanyl-2-phenyl-ethanoate; (2S)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: calcium; 2-hydroxy-2-phenyl-acetate; (2S)-2-hydroxy-2-phenyl-acetate CAS Name: calcium; 2-hydroxy-2-phenylacetate; (2S)-2-hydroxy-2-phenylacetate IUPAC Name: calcium; 2-hydroxy-2-phenylacetate; (2S)-2-hydroxy-2-phenylacetate Traditional Name: calcium; 2-hydroxy-2-phenyl-acetate; (2S)-2-hydroxy-2-phenyl-acetate Formula: C16H14CaO6 MolecularWeight: 342.35676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H8O3.Ca/c2*9-7(8(10)11)6-4-2-1-3-5-6;/h2*1-5,7,9H,(H,10,11);/q;;+2/p-2/t7-;;/m0../s1