tetrasodium [3-methoxy-6-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-2-phosphonatooxy-phenyl] phosphate

Systemtic Name: tetrasodium [3-methoxy-6-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-2-phosphonatooxy-phenyl] phosphate Openeye Name: tetrasodium [3-methoxy-6-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]-2-phosphonatooxy-phenyl] phosphate CAS Name: tetrasodium [3-methoxy-6-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-2-phosphonatooxyphenyl] phosphate IUPAC Name: tetrasodium [3-methoxy-6-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-2-phosphonatooxyphenyl] phosphate Traditional Name: tetrasodium [3-methoxy-6-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]-2-phosphato-phenyl] phosphate Formula: C17H14Na4O12P2 MolecularWeight: 564.192462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=CC2=CC3=C(C(=C2)OC)OCO3)OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

COC1=C(C(=C(C=C1)/C=C\C2=CC3=C(C(=C2)OC)OCO3)OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C17H18O12P2.4Na/c1-24-12-6-5-11(15(28-30(18,19)20)17(12)29-31(21,22)23)4-3-10-7-13(25-2)16-14(8-10)26-9-27-16;;;;/h3-8H,9H2,1-2H3,(H2,18,19,20)(H2,21,22,23);;;;/q;4*+1/p-4/b4-3-;;;;