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calcium 2-oxidanyl-4-(phenylcarbonyl)benzoate

calcium 2-oxidanyl-4-(phenylcarbonyl)benzoate

Systemtic Name:calcium 2-oxidanyl-4-(phenylcarbonyl)benzoate
Openeye Name:calcium 4-benzoyl-2-hydroxy-benzoate
CAS Name:calcium 4-benzoyl-2-hydroxybenzoate
IUPAC Name:calcium 4-benzoyl-2-hydroxybenzoate
Traditional Name:calcium 4-benzoyl-2-hydroxy-benzoate
Formula: C28H18CaO8
MolecularWeight: 522.51572
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/2C14H10O4.Ca/c2*15-12-8-10(6-7-11(12)14(17)18)13(16)9-4-2-1-3-5-9;/h2*1-8,15H,(H,17,18);/q;;+2/p-2


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