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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2OCCC3=CC=CC=C3)Br

Isomeric SMILES

CCC(C)C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2OCCC3=CC=CC=C3)Br

InChI

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