calcium 4-oxidanylnaphthalene-1-carboxylate

Systemtic Name: calcium 4-oxidanylnaphthalene-1-carboxylate Openeye Name: calcium 4-hydroxynaphthalene-1-carboxylate CAS Name: calcium 4-hydroxy-1-naphthalenecarboxylate IUPAC Name: calcium 4-hydroxynaphthalene-1-carboxylate Traditional Name: calcium 4-hydroxy-1-naphthoate Formula: C22H14CaO6 MolecularWeight: 414.42096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2O)C(=O)[O-].C1=CC=C2C(=C1)C(=CC=C2O)C(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2O)C(=O)[O-].C1=CC=C2C(=C1)C(=CC=C2O)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C11H8O3.Ca/c2*12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10;/h2*1-6,12H,(H,13,14);/q;;+2/p-2