(4-butoxycarbonylphenyl) 3-bromanyl-4-butoxy-benzoate

Systemtic Name: (4-butoxycarbonylphenyl) 3-bromanyl-4-butoxy-benzoate Openeye Name: (4-butoxycarbonylphenyl) 3-bromo-4-butoxy-benzoate CAS Name: 3-bromo-4-butoxybenzoic acid [4-[butoxy(oxo)methyl]phenyl] ester IUPAC Name: (4-butoxycarbonylphenyl) 3-bromo-4-butoxybenzoate Traditional Name: 3-bromo-4-butoxy-benzoic acid (4-butoxycarbonylphenyl) ester Formula: C22H25BrO5 MolecularWeight: 449.3349

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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)OCCCC)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrO5/c1-3-5-13-26-20-12-9-17(15-19(20)23)22(25)28-18-10-7-16(8-11-18)21(24)27-14-6-4-2/h7-12,15H,3-6,13-14H2,1-2H3