[4-(4-bromophenyl)-4-oxidanylidene-butyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-butyl] 3,4,5-trimethoxybenzoate Openeye Name: [4-(4-bromophenyl)-4-oxo-butyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-(4-bromophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)-4-oxobutyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [4-(4-bromophenyl)-4-keto-butyl] ester Formula: C20H21BrO6 MolecularWeight: 437.28114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H21BrO6/c1-24-17-11-14(12-18(25-2)19(17)26-3)20(23)27-10-4-5-16(22)13-6-8-15(21)9-7-13/h6-9,11-12H,4-5,10H2,1-3H3