tert-butyl 3-bromanyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]benzoate

Systemtic Name: tert-butyl 3-bromanyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]benzoate Openeye Name: tert-butyl 4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-3-bromo-benzoate CAS Name: 4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-3-bromobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-3-bromobenzoate Traditional Name: 4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-3-bromo-benzoic acid tert-butyl ester Formula: C25H31BrO6 MolecularWeight: 507.41404

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C=C(C=C2)C(=O)OC(C)(C)C)Br

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C=C(C=C2)C(=O)OC(C)(C)C)Br

InChI

InChI=1S/C25H31BrO6/c1-6-8-19-21(12-10-18(16(2)27)23(19)28)30-13-7-14-31-22-11-9-17(15-20(22)26)24(29)32-25(3,4)5/h9-12,15,28H,6-8,13-14H2,1-5H3