disodium [6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-yl] phosphate

Systemtic Name: disodium [6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-yl] phosphate Openeye Name: disodium [6-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]benzothiophen-4-yl] phosphate CAS Name: disodium [6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-yl] phosphate IUPAC Name: disodium [6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophen-4-yl] phosphate Traditional Name: disodium [6-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]benzothiophen-4-yl] phosphate Formula: C19H17Na2O7PS MolecularWeight: 466.352381

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=CC2=CC(=C3C=CSC3=C2)OP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C2=CC(=C3C=CSC3=C2)OP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C19H19O7PS.2Na/c1-23-16-9-12(10-17(24-2)19(16)25-3)4-5-13-8-15(26-27(20,21)22)14-6-7-28-18(14)11-13;;/h4-11H,1-3H3,(H2,20,21,22);;/q;2*+1/p-2/b5-4+;;