[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-(3-methyl-3-oxidanyl-but-1-ynyl)benzoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-(3-methyl-3-oxidanyl-but-1-ynyl)benzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 4-(3-hydroxy-3-methyl-but-1-ynyl)benzoate CAS Name: 4-(3-hydroxy-3-methylbut-1-ynyl)benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 4-(3-hydroxy-3-methylbut-1-ynyl)benzoate Traditional Name: 4-(3-hydroxy-3-methyl-but-1-ynyl)benzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C20H17BrO4 MolecularWeight: 401.25058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C20H17BrO4/c1-20(2,24)12-11-14-3-5-16(6-4-14)19(23)25-13-18(22)15-7-9-17(21)10-8-15/h3-10,24H,13H2,1-2H3