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

Systemtic Name: sodium 2-[[3-[3-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)propoxy]-2-propyl-phenoxy]methyl]benzoate Openeye Name: sodium 2-[[3-[3-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)propoxy]-2-propyl-phenoxy]methyl]benzoate CAS Name: sodium 2-[[3-[3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propoxy]-2-propylphenoxy]methyl]benzoate IUPAC Name: sodium 2-[[3-[3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propoxy]-2-propylphenoxy]methyl]benzoate Traditional Name: sodium 2-[[3-[3-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)propoxy]-2-propyl-phenoxy]methyl]benzoate Formula: C30H33NaO7 MolecularWeight: 528.56859

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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)OCC3=CC=CC=C3C(=O)[O-].[Na+]

Isomeric SMILES

CCCC1=C(C=CC=C1OCCCOC2=C(C=C(C(=C2)O)C(=O)C)CC)OCC3=CC=CC=C3C(=O)[O-].[Na+]

InChI

InChI=1S/C30H34O7.Na/c1-4-10-24-27(13-8-14-28(24)37-19-22-11-6-7-12-23(22)30(33)34)35-15-9-16-36-29-18-26(32)25(20(3)31)17-21(29)5-2;/h6-8,11-14,17-18,32H,4-5,9-10,15-16,19H2,1-3H3,(H,33,34);/q;+1/p-1