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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1OCCCCOC2=C(C=C(C(=C2)O)C(=O)C)CC)OC3=CC=CC=C3C(=O)[O-].[Na+]

Isomeric SMILES

CCCC1=C(C=CC=C1OCCCCOC2=C(C=C(C(=C2)O)C(=O)C)CC)OC3=CC=CC=C3C(=O)[O-].[Na+]

InChI

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