[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 3-bromanyl-4-butoxy-benzoate

Systemtic Name: [4-(oxolan-2-ylmethoxycarbonyl)phenyl] 3-bromanyl-4-butoxy-benzoate Openeye Name: [4-(tetrahydrofuran-2-ylmethoxycarbonyl)phenyl] 3-bromo-4-butoxy-benzoate CAS Name: 3-bromo-4-butoxybenzoic acid [4-[oxo(2-oxolanylmethoxy)methyl]phenyl] ester IUPAC Name: [4-(oxolan-2-ylmethoxycarbonyl)phenyl] 3-bromo-4-butoxybenzoate Traditional Name: 3-bromo-4-butoxy-benzoic acid [4-(tetrahydrofurfuryloxycarbonyl)phenyl] ester Formula: C23H25BrO6 MolecularWeight: 477.345

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCC3CCCO3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCC3CCCO3)Br

InChI

InChI=1S/C23H25BrO6/c1-2-3-12-28-21-11-8-17(14-20(21)24)23(26)30-18-9-6-16(7-10-18)22(25)29-15-19-5-4-13-27-19/h6-11,14,19H,2-5,12-13,15H2,1H3