tetrasodium [2,3-dimethoxy-5-[(Z)-2-(4-methoxy-2-oxidanyl-3-phosphonatooxy-phenyl)ethenyl]phenyl] phosphate

Systemtic Name: tetrasodium [2,3-dimethoxy-5-[(Z)-2-(4-methoxy-2-oxidanyl-3-phosphonatooxy-phenyl)ethenyl]phenyl] phosphate Openeye Name: tetrasodium [3-[(Z)-2-(3,4-dimethoxy-5-phosphonatooxy-phenyl)vinyl]-2-hydroxy-6-methoxy-phenyl] phosphate CAS Name: tetrasodium [3-[(Z)-2-(3,4-dimethoxy-5-phosphonatooxyphenyl)ethenyl]-2-hydroxy-6-methoxyphenyl] phosphate IUPAC Name: tetrasodium [3-[(Z)-2-(3,4-dimethoxy-5-phosphonatooxyphenyl)ethenyl]-2-hydroxy-6-methoxyphenyl] phosphate Traditional Name: tetrasodium [3-[(Z)-2-(3,4-dimethoxy-5-phosphato-phenyl)vinyl]-2-hydroxy-6-methoxy-phenyl] phosphate Formula: C17H16Na4O12P2 MolecularWeight: 566.208342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=CC2=CC(=C(C(=C2)OP(=O)([O-])[O-])OC)OC)O)OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C17H20O12P2.4Na/c1-25-12-7-6-11(15(18)17(12)29-31(22,23)24)5-4-10-8-13(26-2)16(27-3)14(9-10)28-30(19,20)21;;;;/h4-9,18H,1-3H3,(H2,19,20,21)(H2,22,23,24);;;;/q;4*+1/p-4/b5-4-;;;;