4-[4-[3-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)propoxy]-3-propyl-phenoxy]benzoic acid

Systemtic Name: 4-[4-[3-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)propoxy]-3-propyl-phenoxy]benzoic acid Openeye Name: 4-[4-[3-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)propoxy]-3-propyl-phenoxy]benzoic acid CAS Name: 4-[4-[3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propoxy]-3-propylphenoxy]benzoic acid IUPAC Name: 4-[4-[3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propoxy]-3-propylphenoxy]benzoic acid Traditional Name: 4-[4-[3-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)propoxy]-3-propyl-phenoxy]benzoic acid Formula: C29H32O7 MolecularWeight: 492.56018

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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

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

InChI

InChI=1S/C29H32O7/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)