tetrasodium (2-methyl-4-phosphonatooxy-naphthalen-1-yl) phosphate hexahydrate

Systemtic Name: tetrasodium (2-methyl-4-phosphonatooxy-naphthalen-1-yl) phosphate hexahydrate Openeye Name: tetrasodium (2-methyl-4-phosphonatooxy-1-naphthyl) phosphate hexahydrate CAS Name: tetrasodium (2-methyl-4-phosphonatooxy-1-naphthalenyl) phosphate hexahydrate IUPAC Name: tetrasodium (2-methyl-4-phosphonatooxynaphthalen-1-yl) phosphate hexahydrate Traditional Name: tetrasodium (2-methyl-4-phosphato-1-naphthyl) phosphate hexahydrate Formula: C11H20Na4O14P2 MolecularWeight: 530.174702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C(=C1)OP(=O)([O-])[O-])OP(=O)([O-])[O-].O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=C(C2=CC=CC=C2C(=C1)OP(=O)([O-])[O-])OP(=O)([O-])[O-].O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C11H12O8P2.4Na.6H2O/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17;;;;;;;;;;/h2-6H,1H3,(H2,12,13,14)(H2,15,16,17);;;;;6*1H2/q;4*+1;;;;;;/p-4