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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26O7.Na/c1-3-18-14-23(17(2)27)24(28)16-25(18)32-12-6-11-31-20-8-5-10-22(15-20)33-21-9-4-7-19(13-21)26(29)30;/h4-5,7-10,13-16,28H,3,6,11-12H2,1-2H3,(H,29,30);/q;+1/p-1