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

Systemtic Name: [3-(oxolan-2-ylmethoxycarbonyl)phenyl] 3-bromanyl-4-hexoxy-benzoate Openeye Name: [3-(tetrahydrofuran-2-ylmethoxycarbonyl)phenyl] 3-bromo-4-hexoxy-benzoate CAS Name: 3-bromo-4-hexoxybenzoic acid [3-[oxo(2-oxolanylmethoxy)methyl]phenyl] ester IUPAC Name: [3-(oxolan-2-ylmethoxycarbonyl)phenyl] 3-bromo-4-hexoxybenzoate Traditional Name: 3-bromo-4-hexoxy-benzoic acid [3-(tetrahydrofurfuryloxycarbonyl)phenyl] ester Formula: C25H29BrO6 MolecularWeight: 505.39816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=O)OCC3CCCO3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=O)OCC3CCCO3)Br

InChI

InChI=1S/C25H29BrO6/c1-2-3-4-5-13-30-23-12-11-19(16-22(23)26)25(28)32-20-9-6-8-18(15-20)24(27)31-17-21-10-7-14-29-21/h6,8-9,11-12,15-16,21H,2-5,7,10,13-14,17H2,1H3