sodium 2,6-bis(3,5-dimethoxyphenoxy)benzoate

Systemtic Name: sodium 2,6-bis(3,5-dimethoxyphenoxy)benzoate Openeye Name: sodium 2,6-bis(3,5-dimethoxyphenoxy)benzoate CAS Name: sodium 2,6-bis(3,5-dimethoxyphenoxy)benzoate IUPAC Name: sodium 2,6-bis(3,5-dimethoxyphenoxy)benzoate Traditional Name: sodium 2,6-bis(3,5-dimethoxyphenoxy)benzoate Formula: C23H21NaO8 MolecularWeight: 448.39781

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)OC2=C(C(=CC=C2)OC3=CC(=CC(=C3)OC)OC)C(=O)[O-])OC.[Na+]

Isomeric SMILES

COC1=CC(=CC(=C1)OC2=C(C(=CC=C2)OC3=CC(=CC(=C3)OC)OC)C(=O)[O-])OC.[Na+]

InChI

InChI=1S/C23H22O8.Na/c1-26-14-8-15(27-2)11-18(10-14)30-20-6-5-7-21(22(20)23(24)25)31-19-12-16(28-3)9-17(13-19)29-4;/h5-13H,1-4H3,(H,24,25);/q;+1/p-1