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

Systemtic Name: sodium 2-[3-[3-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)propoxy]-2-propyl-phenoxy]benzoate Openeye Name: sodium 2-[3-[3-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)propoxy]-2-propyl-phenoxy]benzoate CAS Name: sodium 2-[3-[3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propoxy]-2-propylphenoxy]benzoate IUPAC Name: sodium 2-[3-[3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propoxy]-2-propylphenoxy]benzoate Traditional Name: sodium 2-[3-[3-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)propoxy]-2-propyl-phenoxy]benzoate Formula: C29H31NaO7 MolecularWeight: 514.54201

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1OCCCOC2=C(C=C(C(=C2)O)C(=O)C)CC)OC3=CC=CC=C3C(=O)[O-].[Na+]

Isomeric SMILES

CCCC1=C(C=CC=C1OCCCOC2=C(C=C(C(=C2)O)C(=O)C)CC)OC3=CC=CC=C3C(=O)[O-].[Na+]

InChI

InChI=1S/C29H32O7.Na/c1-4-10-21-25(13-8-14-26(21)36-27-12-7-6-11-22(27)29(32)33)34-15-9-16-35-28-18-24(31)23(19(3)30)17-20(28)5-2;/h6-8,11-14,17-18,31H,4-5,9-10,15-16H2,1-3H3,(H,32,33);/q;+1/p-1