sodium 4-[4-[3-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)propoxy]phenoxy]benzoate

Systemtic Name: sodium 4-[4-[3-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)propoxy]phenoxy]benzoate Openeye Name: sodium 4-[4-[3-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)propoxy]phenoxy]benzoate CAS Name: sodium 4-[4-[3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propoxy]phenoxy]benzoate IUPAC Name: sodium 4-[4-[3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propoxy]phenoxy]benzoate Traditional Name: sodium 4-[4-[3-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)propoxy]phenoxy]benzoate Formula: C26H25NaO7 MolecularWeight: 472.46227

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)C)O)OCCCOC2=CC=C(C=C2)OC3=CC=C(C=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C)O)OCCCOC2=CC=C(C=C2)OC3=CC=C(C=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C26H26O7.Na/c1-3-18-15-23(17(2)27)24(28)16-25(18)32-14-4-13-31-20-9-11-22(12-10-20)33-21-7-5-19(6-8-21)26(29)30;/h5-12,15-16,28H,3-4,13-14H2,1-2H3,(H,29,30);/q;+1/p-1