hexasodium [2,6-dimethoxy-4-[(E)-2-(4-methoxy-2,3-diphosphonatooxy-phenyl)ethenyl]phenyl] phosphate

Systemtic Name: hexasodium [2,6-dimethoxy-4-[(E)-2-(4-methoxy-2,3-diphosphonatooxy-phenyl)ethenyl]phenyl] phosphate Openeye Name: hexasodium [2,6-dimethoxy-4-[(E)-2-(4-methoxy-2,3-diphosphonatooxy-phenyl)vinyl]phenyl] phosphate CAS Name: hexasodium [2,6-dimethoxy-4-[(E)-2-(4-methoxy-2,3-diphosphonatooxyphenyl)ethenyl]phenyl] phosphate IUPAC Name: hexasodium [2,6-dimethoxy-4-[(E)-2-(4-methoxy-2,3-diphosphonatooxyphenyl)ethenyl]phenyl] phosphate Traditional Name: hexasodium [2,6-dimethoxy-4-[(E)-2-(4-methoxy-2,3-diphosphato-phenyl)vinyl]phenyl] phosphate Formula: C17H15Na6O15P3 MolecularWeight: 690.151903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21O15P3.6Na/c1-27-12-7-6-11(15(30-33(18,19)20)17(12)32-35(24,25)26)5-4-10-8-13(28-2)16(14(9-10)29-3)31-34(21,22)23;;;;;;/h4-9H,1-3H3,(H2,18,19,20)(H2,21,22,23)(H2,24,25,26);;;;;;/q;6*+1/p-6/b5-4+;;;;;;