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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H32O7.Na/c1-4-7-22-16-24(36-23-10-8-21(9-11-23)29(32)33)12-13-27(22)34-14-6-15-35-28-18-26(31)25(19(3)30)17-20(28)5-2;/h8-13,16-18,31H,4-7,14-15H2,1-3H3,(H,32,33);/q;+1/p-1