pentasodium bis[3-oxidanylidene-3-(4-phosphonatooxyphenoxy)propyl]phosphinate

Systemtic Name: pentasodium bis[3-oxidanylidene-3-(4-phosphonatooxyphenoxy)propyl]phosphinate Openeye Name: pentasodium bis[3-oxo-3-(4-phosphonatooxyphenoxy)propyl]phosphinate CAS Name: pentasodium bis[3-oxo-3-(4-phosphonatooxyphenoxy)propyl]phosphinate IUPAC Name: pentasodium bis[3-oxo-3-(4-phosphonatooxyphenoxy)propyl]phosphinate Traditional Name: pentasodium bis[3-keto-3-(4-phosphatophenoxy)propyl]phosphinate Formula: C18H16Na5O14P3 MolecularWeight: 664.181373

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC(=O)CCP(=O)(CCC(=O)OC2=CC=C(C=C2)OP(=O)([O-])[O-])[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1OC(=O)CCP(=O)(CCC(=O)OC2=CC=C(C=C2)OP(=O)([O-])[O-])[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H21O14P3.5Na/c19-17(29-13-1-5-15(6-2-13)31-34(23,24)25)9-11-33(21,22)12-10-18(20)30-14-3-7-16(8-4-14)32-35(26,27)28;;;;;/h1-8H,9-12H2,(H,21,22)(H2,23,24,25)(H2,26,27,28);;;;;/q;5*+1/p-5