(2-phenethyloxyphenyl) 3-bromanyl-4-hexoxy-benzoate

Systemtic Name: (2-phenethyloxyphenyl) 3-bromanyl-4-hexoxy-benzoate Openeye Name: (2-phenethyloxyphenyl) 3-bromo-4-hexoxy-benzoate CAS Name: 3-bromo-4-hexoxybenzoic acid (2-phenethyloxyphenyl) ester IUPAC Name: (2-phenethyloxyphenyl) 3-bromo-4-hexoxybenzoate Traditional Name: 3-bromo-4-hexoxy-benzoic acid (2-phenethyloxyphenyl) ester Formula: C27H29BrO4 MolecularWeight: 497.42076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2OCCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C27H29BrO4/c1-2-3-4-10-18-30-24-16-15-22(20-23(24)28)27(29)32-26-14-9-8-13-25(26)31-19-17-21-11-6-5-7-12-21/h5-9,11-16,20H,2-4,10,17-19H2,1H3