tetrasodium [oxidanyl(phosphonato)methyl]-phenoxy-phosphinate

Systemtic Name: tetrasodium [oxidanyl(phosphonato)methyl]-phenoxy-phosphinate Openeye Name: tetrasodium [hydroxy(phosphonato)methyl]-phenoxy-phosphinate CAS Name: tetrasodium [hydroxy(phosphonato)methyl]-phenoxyphosphinate IUPAC Name: tetrasodium [hydroxy(phosphonato)methyl]-phenoxyphosphinate Traditional Name: tetrasodium [hydroxy(phosphonato)methyl]-phenoxy-phosphinate Formula: C28H28Na4O28P8-8 MolecularWeight: 1152.254288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OP(=O)(C(O)P(=O)([O-])[O-])[O-].C1=CC=C(C=C1)OP(=O)(C(O)P(=O)([O-])[O-])[O-].C1=CC=C(C=C1)OP(=O)(C(O)P(=O)([O-])[O-])[O-].C1=CC=C(C=C1)OP(=O)(C(O)P(=O)([O-])[O-])[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)OP(=O)(C(O)P(=O)([O-])[O-])[O-].C1=CC=C(C=C1)OP(=O)(C(O)P(=O)([O-])[O-])[O-].C1=CC=C(C=C1)OP(=O)(C(O)P(=O)([O-])[O-])[O-].C1=CC=C(C=C1)OP(=O)(C(O)P(=O)([O-])[O-])[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/4C7H10O7P2.4Na/c4*8-7(15(9,10)11)16(12,13)14-6-4-2-1-3-5-6;;;;/h4*1-5,7-8H,(H,12,13)(H2,9,10,11);;;;/q;;;;4*+1/p-12