(2-bromanyl-4-butan-2-yl-phenyl) 4-(2-phenoxyethoxy)benzoate

Systemtic Name: (2-bromanyl-4-butan-2-yl-phenyl) 4-(2-phenoxyethoxy)benzoate Openeye Name: (2-bromo-4-sec-butyl-phenyl) 4-(2-phenoxyethoxy)benzoate CAS Name: 4-(2-phenoxyethoxy)benzoic acid (2-bromo-4-butan-2-ylphenyl) ester IUPAC Name: (2-bromo-4-butan-2-ylphenyl) 4-(2-phenoxyethoxy)benzoate Traditional Name: 4-(2-phenoxyethoxy)benzoic acid (2-bromo-4-sec-butyl-phenyl) ester Formula: C25H25BrO4 MolecularWeight: 469.3676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCOC3=CC=CC=C3)Br

Isomeric SMILES

CCC(C)C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCOC3=CC=CC=C3)Br

InChI

InChI=1S/C25H25BrO4/c1-3-18(2)20-11-14-24(23(26)17-20)30-25(27)19-9-12-22(13-10-19)29-16-15-28-21-7-5-4-6-8-21/h4-14,17-18H,3,15-16H2,1-2H3