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

Systemtic Name: calcium [5-[(Z)-2-(3-bromanyl-4,5-dimethoxy-phenyl)ethenyl]-2-methoxy-phenyl] phosphate Openeye Name: calcium [5-[(Z)-2-(3-bromo-4,5-dimethoxy-phenyl)vinyl]-2-methoxy-phenyl] phosphate CAS Name: calcium [5-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl] phosphate IUPAC Name: calcium [5-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl] phosphate Traditional Name: calcium [5-[(Z)-2-(3-bromo-4,5-dimethoxy-phenyl)vinyl]-2-methoxy-phenyl] phosphate Formula: C17H16BrCaO7P MolecularWeight: 483.260501

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)Br)OC)OC)OP(=O)([O-])[O-].[Ca+2]

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrO7P.Ca/c1-22-14-7-6-11(9-15(14)25-26(19,20)21)4-5-12-8-13(18)17(24-3)16(10-12)23-2;/h4-10H,1-3H3,(H2,19,20,21);/q;+2/p-2/b5-4-;