oxan-2-yl 3-bromanyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]benzoate

Systemtic Name: oxan-2-yl 3-bromanyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]benzoate Openeye Name: tetrahydropyran-2-yl 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 2-oxanyl ester IUPAC Name: oxan-2-yl 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 tetrahydropyran-2-yl ester Formula: C26H31BrO7 MolecularWeight: 535.42414

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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)OC3CCCCO3)Br

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C=C(C=C2)C(=O)OC3CCCCO3)Br

InChI

InChI=1S/C26H31BrO7/c1-3-7-20-22(12-10-19(17(2)28)25(20)29)31-14-6-15-32-23-11-9-18(16-21(23)27)26(30)34-24-8-4-5-13-33-24/h9-12,16,24,29H,3-8,13-15H2,1-2H3