(4-propoxycarbonylphenyl) 3-bromanyl-4-hexoxy-benzoate

Systemtic Name: (4-propoxycarbonylphenyl) 3-bromanyl-4-hexoxy-benzoate Openeye Name: (4-propoxycarbonylphenyl) 3-bromo-4-hexoxy-benzoate CAS Name: 3-bromo-4-hexoxybenzoic acid [4-[oxo(propoxy)methyl]phenyl] ester IUPAC Name: (4-propoxycarbonylphenyl) 3-bromo-4-hexoxybenzoate Traditional Name: 3-bromo-4-hexoxy-benzoic acid (4-propoxycarbonylphenyl) ester Formula: C23H27BrO5 MolecularWeight: 463.36148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCCC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCCC)Br

InChI

InChI=1S/C23H27BrO5/c1-3-5-6-7-15-27-21-13-10-18(16-20(21)24)23(26)29-19-11-8-17(9-12-19)22(25)28-14-4-2/h8-13,16H,3-7,14-15H2,1-2H3