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

Systemtic Name: tetrasodium naphthalen-1-yloxy-[oxidanyl(phosphonato)methyl]phosphinate Openeye Name: tetrasodium [hydroxy(phosphonato)methyl]-(1-naphthyloxy)phosphinate CAS Name: tetrasodium [hydroxy(phosphonato)methyl]-(1-naphthalenyloxy)phosphinate IUPAC Name: tetrasodium [hydroxy(phosphonato)methyl]-naphthalen-1-yloxyphosphinate Traditional Name: tetrasodium [hydroxy(phosphonato)methyl]-(1-naphthoxy)phosphinate Formula: C44H36Na4O28P8-8 MolecularWeight: 1352.489008

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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-].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-].[Na+].[Na+].[Na+].[Na+]

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-].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-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/4C11H12O7P2.4Na/c4*12-11(19(13,14)15)20(16,17)18-10-7-3-5-8-4-1-2-6-9(8)10;;;;/h4*1-7,11-12H,(H,16,17)(H2,13,14,15);;;;/q;;;;4*+1/p-12