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

Systemtic Name: 3-[2-[3-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)propoxy]phenoxy]benzoic acid Openeye Name: 3-[2-[3-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)propoxy]phenoxy]benzoic acid CAS Name: 3-[2-[3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propoxy]phenoxy]benzoic acid IUPAC Name: 3-[2-[3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propoxy]phenoxy]benzoic acid Traditional Name: 3-[2-[3-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)propoxy]phenoxy]benzoic acid Formula: C26H26O7 MolecularWeight: 450.48044

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)C)O)OCCCOC2=CC=CC=C2OC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C)O)OCCCOC2=CC=CC=C2OC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C26H26O7/c1-3-18-15-21(17(2)27)22(28)16-25(18)32-13-7-12-31-23-10-4-5-11-24(23)33-20-9-6-8-19(14-20)26(29)30/h4-6,8-11,14-16,28H,3,7,12-13H2,1-2H3,(H,29,30)