[2-(4-butylphenyl)-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-(4-butylphenyl)-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-(4-butylphenyl)-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-(4-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butylphenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-(4-butylphenyl)-2-keto-ethyl] ester Formula: C19H19BrO4 MolecularWeight: 391.25576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C19H19BrO4/c1-2-3-4-13-5-7-14(8-6-13)18(22)12-24-19(23)16-11-15(20)9-10-17(16)21/h5-11,21H,2-4,12H2,1H3