tetrasodium [3-methoxy-6-[(E)-2-phenylethenyl]-2-phosphonatooxy-phenyl] phosphate

Systemtic Name: tetrasodium [3-methoxy-6-[(E)-2-phenylethenyl]-2-phosphonatooxy-phenyl] phosphate Openeye Name: tetrasodium [3-methoxy-2-phosphonatooxy-6-[(E)-styryl]phenyl] phosphate CAS Name: tetrasodium [3-methoxy-6-[(E)-2-phenylethenyl]-2-phosphonatooxyphenyl] phosphate IUPAC Name: tetrasodium [3-methoxy-6-[(E)-2-phenylethenyl]-2-phosphonatooxyphenyl] phosphate Traditional Name: tetrasodium [3-methoxy-2-phosphato-6-[(E)-styryl]phenyl] phosphate Formula: C15H12Na4O9P2 MolecularWeight: 490.156982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16O9P2.4Na/c1-22-13-10-9-12(8-7-11-5-3-2-4-6-11)14(23-25(16,17)18)15(13)24-26(19,20)21;;;;/h2-10H,1H3,(H2,16,17,18)(H2,19,20,21);;;;/q;4*+1/p-4/b8-7+;;;;