tetrasodium phenoxy(phosphonatomethyl)phosphinate

Systemtic Name: tetrasodium phenoxy(phosphonatomethyl)phosphinate Openeye Name: tetrasodium phenoxy(phosphonatomethyl)phosphinate CAS Name: tetrasodium phenoxy(phosphonatomethyl)phosphinate IUPAC Name: tetrasodium phenoxy(phosphonatomethyl)phosphinate Traditional Name: tetrasodium phenoxy(phosphonatomethyl)phosphinate Formula: C28H28Na4O24P8-8 MolecularWeight: 1088.256688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C7H10O6P2.4Na/c4*8-14(9,10)6-15(11,12)13-7-4-2-1-3-5-7;;;;/h4*1-5H,6H2,(H,11,12)(H2,8,9,10);;;;/q;;;;4*+1/p-12