[3-(2-phenoxyethoxycarbonyl)phenyl] 5-bromanyl-2-butoxy-benzoate

Systemtic Name: [3-(2-phenoxyethoxycarbonyl)phenyl] 5-bromanyl-2-butoxy-benzoate Openeye Name: [3-(2-phenoxyethoxycarbonyl)phenyl] 5-bromo-2-butoxy-benzoate CAS Name: 5-bromo-2-butoxybenzoic acid [3-[oxo(2-phenoxyethoxy)methyl]phenyl] ester IUPAC Name: [3-(2-phenoxyethoxycarbonyl)phenyl] 5-bromo-2-butoxybenzoate Traditional Name: 5-bromo-2-butoxy-benzoic acid [3-(2-phenoxyethoxycarbonyl)phenyl] ester Formula: C26H25BrO6 MolecularWeight: 513.3771

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)OC2=CC=CC(=C2)C(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)OC2=CC=CC(=C2)C(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C26H25BrO6/c1-2-3-14-31-24-13-12-20(27)18-23(24)26(29)33-22-11-7-8-19(17-22)25(28)32-16-15-30-21-9-5-4-6-10-21/h4-13,17-18H,2-3,14-16H2,1H3