calcium 4-bromanyl-3-oxidanyl-naphthalene-2-carboxylate

Systemtic Name: calcium 4-bromanyl-3-oxidanyl-naphthalene-2-carboxylate Openeye Name: calcium 4-bromo-3-hydroxy-naphthalene-2-carboxylate CAS Name: calcium 4-bromo-3-hydroxy-2-naphthalenecarboxylate IUPAC Name: calcium 4-bromo-3-hydroxynaphthalene-2-carboxylate Traditional Name: calcium 4-bromo-3-hydroxy-2-naphthoate Formula: C22H12Br2CaO6 MolecularWeight: 572.21308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=C2Br)O)C(=O)[O-].C1=CC=C2C(=C1)C=C(C(=C2Br)O)C(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=C2Br)O)C(=O)[O-].C1=CC=C2C(=C1)C=C(C(=C2Br)O)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C11H7BrO3.Ca/c2*12-9-7-4-2-1-3-6(7)5-8(10(9)13)11(14)15;/h2*1-5,13H,(H,14,15);/q;;+2/p-2