[4-(4-bromophenyl)-4-oxidanylidene-butyl] 4-tert-butylbenzoate

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-butyl] 4-tert-butylbenzoate Openeye Name: [4-(4-bromophenyl)-4-oxo-butyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [4-(4-bromophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)-4-oxobutyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [4-(4-bromophenyl)-4-keto-butyl] ester Formula: C21H23BrO3 MolecularWeight: 403.30952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCCCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCCCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H23BrO3/c1-21(2,3)17-10-6-16(7-11-17)20(24)25-14-4-5-19(23)15-8-12-18(22)13-9-15/h6-13H,4-5,14H2,1-3H3