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

Systemtic Name: (2-bromanyl-4-butan-2-yl-phenyl) 4-phenethyloxybenzoate Openeye Name: (2-bromo-4-sec-butyl-phenyl) 4-phenethyloxybenzoate CAS Name: 4-phenethyloxybenzoic acid (2-bromo-4-butan-2-ylphenyl) ester IUPAC Name: (2-bromo-4-butan-2-ylphenyl) 4-phenethyloxybenzoate Traditional Name: 4-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=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

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

InChI

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