tetrasodium [3-methoxy-2-phosphonatooxy-6-(3,4,5-trimethoxyphenyl)carbonyl-phenyl] phosphate

Systemtic Name: tetrasodium [3-methoxy-2-phosphonatooxy-6-(3,4,5-trimethoxyphenyl)carbonyl-phenyl] phosphate Openeye Name: tetrasodium [3-methoxy-2-phosphonatooxy-6-(3,4,5-trimethoxybenzoyl)phenyl] phosphate CAS Name: tetrasodium [3-methoxy-6-[oxo-(3,4,5-trimethoxyphenyl)methyl]-2-phosphonatooxyphenyl] phosphate IUPAC Name: tetrasodium [3-methoxy-2-phosphonatooxy-6-(3,4,5-trimethoxybenzoyl)phenyl] phosphate Traditional Name: tetrasodium [3-methoxy-2-phosphato-6-(3,4,5-trimethoxybenzoyl)phenyl] phosphate Formula: C17H16Na4O13P2 MolecularWeight: 582.207742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C17H20O13P2.4Na/c1-25-11-6-5-10(15(29-31(19,20)21)17(11)30-32(22,23)24)14(18)9-7-12(26-2)16(28-4)13(8-9)27-3;;;;/h5-8H,1-4H3,(H2,19,20,21)(H2,22,23,24);;;;/q;4*+1/p-4