(2-bromanyl-4-butan-2-yl-phenyl) 3-phenethyloxybenzoate

Systemtic Name: (2-bromanyl-4-butan-2-yl-phenyl) 3-phenethyloxybenzoate Openeye Name: (2-bromo-4-sec-butyl-phenyl) 3-phenethyloxybenzoate CAS Name: 3-phenethyloxybenzoic acid (2-bromo-4-butan-2-ylphenyl) ester IUPAC Name: (2-bromo-4-butan-2-ylphenyl) 3-phenethyloxybenzoate Traditional Name: 3-phenethyloxybenzoic acid (2-bromo-4-sec-butyl-phenyl) ester Formula: C25H25BrO3 MolecularWeight: 453.3682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CCC(C)C1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C25H25BrO3/c1-3-18(2)20-12-13-24(23(26)17-20)29-25(27)21-10-7-11-22(16-21)28-15-14-19-8-5-4-6-9-19/h4-13,16-18H,3,14-15H2,1-2H3