calcium naphthalene-1-carboxylate

Systemtic Name: calcium naphthalene-1-carboxylate Openeye Name: calcium naphthalene-1-carboxylate CAS Name: calcium 1-naphthalenecarboxylate IUPAC Name: calcium naphthalene-1-carboxylate Traditional Name: calcium 1-naphthoate Formula: C22H14CaO4 MolecularWeight: 382.42216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C11H8O2.Ca/c2*12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;/h2*1-7H,(H,12,13);/q;;+2/p-2