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

Systemtic Name: tert-butyl 4-[3-(3-acetyloxy-4-ethanoyl-2-propyl-phenoxy)propoxy]-3-bromanyl-benzoate Openeye Name: tert-butyl 4-[3-(3-acetoxy-4-acetyl-2-propyl-phenoxy)propoxy]-3-bromo-benzoate CAS Name: 4-[3-(4-acetyl-3-acetyloxy-2-propylphenoxy)propoxy]-3-bromobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(4-acetyl-3-acetyloxy-2-propylphenoxy)propoxy]-3-bromobenzoate Traditional Name: 4-[3-(3-acetoxy-4-acetyl-2-propyl-phenoxy)propoxy]-3-bromo-benzoic acid tert-butyl ester Formula: C27H33BrO7 MolecularWeight: 549.45072

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OC(=O)C)C(=O)C)OCCCOC2=C(C=C(C=C2)C(=O)OC(C)(C)C)Br

Isomeric SMILES

CCCC1=C(C=CC(=C1OC(=O)C)C(=O)C)OCCCOC2=C(C=C(C=C2)C(=O)OC(C)(C)C)Br

InChI

InChI=1S/C27H33BrO7/c1-7-9-21-23(13-11-20(17(2)29)25(21)34-18(3)30)32-14-8-15-33-24-12-10-19(16-22(24)28)26(31)35-27(4,5)6/h10-13,16H,7-9,14-15H2,1-6H3