tricalcium naphthalen-1-yloxy-[oxidanyl(phosphonato)methyl]phosphinate

Systemtic Name: tricalcium naphthalen-1-yloxy-[oxidanyl(phosphonato)methyl]phosphinate Openeye Name: tricalcium [hydroxy(phosphonato)methyl]-(1-naphthyloxy)phosphinate CAS Name: tricalcium [hydroxy(phosphonato)methyl]-(1-naphthalenyloxy)phosphinate IUPAC Name: tricalcium [hydroxy(phosphonato)methyl]-naphthalen-1-yloxyphosphinate Traditional Name: tricalcium [hydroxy(phosphonato)methyl]-(1-naphthoxy)phosphinate Formula: C22H18Ca3O14P4 MolecularWeight: 750.498964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C11H12O7P2.3Ca/c2*12-11(19(13,14)15)20(16,17)18-10-7-3-5-8-4-1-2-6-9(8)10;;;/h2*1-7,11-12H,(H,16,17)(H2,13,14,15);;;/q;;3*+2/p-6