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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)OC2=CC=CC(=C2)C(=O)[O-])OCCCOC3=C(C=C(C(=C3)O)C(=O)C)CC.[Na+]

Isomeric SMILES

CCCC1=C(C=CC(=C1)OC2=CC=CC(=C2)C(=O)[O-])OCCCOC3=C(C=C(C(=C3)O)C(=O)C)CC.[Na+]

InChI

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