[3-(3-phenylpropoxycarbonyl)phenyl] 3-bromanyl-4-hexoxy-benzoate

Systemtic Name: [3-(3-phenylpropoxycarbonyl)phenyl] 3-bromanyl-4-hexoxy-benzoate Openeye Name: [3-(3-phenylpropoxycarbonyl)phenyl] 3-bromo-4-hexoxy-benzoate CAS Name: 3-bromo-4-hexoxybenzoic acid [3-[oxo(3-phenylpropoxy)methyl]phenyl] ester IUPAC Name: [3-(3-phenylpropoxycarbonyl)phenyl] 3-bromo-4-hexoxybenzoate Traditional Name: 3-bromo-4-hexoxy-benzoic acid [3-(3-phenylpropoxycarbonyl)phenyl] ester Formula: C29H31BrO5 MolecularWeight: 539.45744

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)OCCCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=O)OCCCC3=CC=CC=C3)Br

InChI

InChI=1S/C29H31BrO5/c1-2-3-4-8-18-33-27-17-16-24(21-26(27)30)29(32)35-25-15-9-14-23(20-25)28(31)34-19-10-13-22-11-6-5-7-12-22/h5-7,9,11-12,14-17,20-21H,2-4,8,10,13,18-19H2,1H3