calcium 3-oxidanylnaphthalene-2-carboxylate trihydrate

Systemtic Name: calcium 3-oxidanylnaphthalene-2-carboxylate trihydrate Openeye Name: calcium 3-hydroxynaphthalene-2-carboxylate trihydrate CAS Name: calcium 3-hydroxy-2-naphthalenecarboxylate trihydrate IUPAC Name: calcium 3-hydroxynaphthalene-2-carboxylate trihydrate Traditional Name: calcium 3-hydroxy-2-naphthoate trihydrate Formula: C22H20CaO9 MolecularWeight: 468.4668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C(=CC2=C1)C(=O)[O-])O.C1=CC=C2C=C(C(=CC2=C1)C(=O)[O-])O.O.O.O.[Ca+2]

Isomeric SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)[O-])O.C1=CC=C2C=C(C(=CC2=C1)C(=O)[O-])O.O.O.O.[Ca+2]

InChI

InChI=1S/2C11H8O3.Ca.3H2O/c2*12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;;;;/h2*1-6,12H,(H,13,14);;3*1H2/q;;+2;;;/p-2