[4-(2-ethoxyethoxycarbonyl)phenyl] 5-bromanyl-2-butoxy-benzoate

Systemtic Name: [4-(2-ethoxyethoxycarbonyl)phenyl] 5-bromanyl-2-butoxy-benzoate Openeye Name: [4-(2-ethoxyethoxycarbonyl)phenyl] 5-bromo-2-butoxy-benzoate CAS Name: 5-bromo-2-butoxybenzoic acid [4-[2-ethoxyethoxy(oxo)methyl]phenyl] ester IUPAC Name: [4-(2-ethoxyethoxycarbonyl)phenyl] 5-bromo-2-butoxybenzoate Traditional Name: 5-bromo-2-butoxy-benzoic acid [4-(2-ethoxyethoxycarbonyl)phenyl] ester Formula: C22H25BrO6 MolecularWeight: 465.3343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)OC2=CC=C(C=C2)C(=O)OCCOCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)OC2=CC=C(C=C2)C(=O)OCCOCC

InChI

InChI=1S/C22H25BrO6/c1-3-5-12-27-20-11-8-17(23)15-19(20)22(25)29-18-9-6-16(7-10-18)21(24)28-14-13-26-4-2/h6-11,15H,3-5,12-14H2,1-2H3