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

Systemtic Name: (2-bromanyl-4-butan-2-yl-phenyl) 3-butoxybenzoate Openeye Name: (2-bromo-4-sec-butyl-phenyl) 3-butoxybenzoate CAS Name: 3-butoxybenzoic acid (2-bromo-4-butan-2-ylphenyl) ester IUPAC Name: (2-bromo-4-butan-2-ylphenyl) 3-butoxybenzoate Traditional Name: 3-butoxybenzoic acid (2-bromo-4-sec-butyl-phenyl) ester Formula: C21H25BrO3 MolecularWeight: 405.3254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C(C)CC)Br

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C(C)CC)Br

InChI

InChI=1S/C21H25BrO3/c1-4-6-12-24-18-9-7-8-17(13-18)21(23)25-20-11-10-16(14-19(20)22)15(3)5-2/h7-11,13-15H,4-6,12H2,1-3H3