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

Systemtic Name: (3-phenethyloxycarbonylphenyl) 3-bromanyl-4-hexoxy-benzoate Openeye Name: (3-phenethyloxycarbonylphenyl) 3-bromo-4-hexoxy-benzoate CAS Name: 3-bromo-4-hexoxybenzoic acid [3-[oxo(phenethyloxy)methyl]phenyl] ester IUPAC Name: (3-phenethyloxycarbonylphenyl) 3-bromo-4-hexoxybenzoate Traditional Name: 3-bromo-4-hexoxy-benzoic acid (3-phenethyloxycarbonylphenyl) ester Formula: C28H29BrO5 MolecularWeight: 525.43086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=O)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=O)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C28H29BrO5/c1-2-3-4-8-17-32-26-15-14-23(20-25(26)29)28(31)34-24-13-9-12-22(19-24)27(30)33-18-16-21-10-6-5-7-11-21/h5-7,9-15,19-20H,2-4,8,16-18H2,1H3