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

Systemtic Name: dicalcium [2,3-dimethoxy-5-[(Z)-2-(4-methoxy-3-phosphonatooxy-phenyl)ethenyl]phenyl] phosphate Openeye Name: dicalcium [2,3-dimethoxy-5-[(Z)-2-(4-methoxy-3-phosphonatooxy-phenyl)vinyl]phenyl] phosphate CAS Name: dicalcium [2,3-dimethoxy-5-[(Z)-2-(4-methoxy-3-phosphonatooxyphenyl)ethenyl]phenyl] phosphate IUPAC Name: dicalcium [2,3-dimethoxy-5-[(Z)-2-(4-methoxy-3-phosphonatooxyphenyl)ethenyl]phenyl] phosphate Traditional Name: dicalcium [2,3-dimethoxy-5-[(Z)-2-(4-methoxy-3-phosphato-phenyl)vinyl]phenyl] phosphate Formula: C17H16Ca2O11P2 MolecularWeight: 538.405862

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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)OP(=O)([O-])[O-].[Ca+2].[Ca+2]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)OP(=O)([O-])[O-])OC)OC)OP(=O)([O-])[O-].[Ca+2].[Ca+2]

InChI

InChI=1S/C17H20O11P2.2Ca/c1-24-13-7-6-11(8-14(13)27-29(18,19)20)4-5-12-9-15(25-2)17(26-3)16(10-12)28-30(21,22)23;;/h4-10H,1-3H3,(H2,18,19,20)(H2,21,22,23);;/q;2*+2/p-4/b5-4-;;