calcium naphthalen-1-yl hydrogen phosphate trihydrate

Systemtic Name: calcium naphthalen-1-yl hydrogen phosphate trihydrate Openeye Name: calcium 1-naphthyl hydrogen phosphate trihydrate CAS Name: calcium 1-naphthalenyl hydrogen phosphate trihydrate IUPAC Name: calcium naphthalen-1-yl hydrogen phosphate trihydrate Traditional Name: calcium 1-naphthyl hydrogen phosphate trihydrate Formula: C20H22CaO11P2 MolecularWeight: 540.407602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2OP(=O)(O)[O-].C1=CC=C2C(=C1)C=CC=C2OP(=O)(O)[O-].O.O.O.[Ca+2]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2OP(=O)(O)[O-].C1=CC=C2C(=C1)C=CC=C2OP(=O)(O)[O-].O.O.O.[Ca+2]

InChI

InChI=1S/2C10H9O4P.Ca.3H2O/c2*11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;;;;/h2*1-7H,(H2,11,12,13);;3*1H2/q;;+2;;;/p-2