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

Systemtic Name: sodium 2-[3-[3-[2-ethyl-5-oxidanyl-4-(oxolan-3-yl)phenoxy]propoxy]-2-propyl-phenoxy]benzoate Openeye Name: sodium 2-[3-[3-(2-ethyl-5-hydroxy-4-tetrahydrofuran-3-yl-phenoxy)propoxy]-2-propyl-phenoxy]benzoate CAS Name: sodium 2-[3-[3-[2-ethyl-5-hydroxy-4-(3-oxolanyl)phenoxy]propoxy]-2-propylphenoxy]benzoate IUPAC Name: sodium 2-[3-[3-[2-ethyl-5-hydroxy-4-(oxolan-3-yl)phenoxy]propoxy]-2-propylphenoxy]benzoate Traditional Name: sodium 2-[3-[3-(2-ethyl-5-hydroxy-4-tetrahydrofuran-3-yl-phenoxy)propoxy]-2-propyl-phenoxy]benzoate Formula: C31H35NaO7 MolecularWeight: 542.59517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1OCCCOC2=C(C=C(C(=C2)O)C3CCOC3)CC)OC4=CC=CC=C4C(=O)[O-].[Na+]

Isomeric SMILES

CCCC1=C(C=CC=C1OCCCOC2=C(C=C(C(=C2)O)C3CCOC3)CC)OC4=CC=CC=C4C(=O)[O-].[Na+]

InChI

InChI=1S/C31H36O7.Na/c1-3-9-23-27(12-7-13-28(23)38-29-11-6-5-10-24(29)31(33)34)36-15-8-16-37-30-19-26(32)25(18-21(30)4-2)22-14-17-35-20-22;/h5-7,10-13,18-19,22,32H,3-4,8-9,14-17,20H2,1-2H3,(H,33,34);/q;+1/p-1