[1-(2,4-dimethylphenyl)-3-methyl-1-oxidanylidene-butan-2-yl] 4-bromanylbutanoate

Systemtic Name: [1-(2,4-dimethylphenyl)-3-methyl-1-oxidanylidene-butan-2-yl] 4-bromanylbutanoate Openeye Name: [1-(2,4-dimethylbenzoyl)-2-methyl-propyl] 4-bromobutanoate CAS Name: 4-bromobutanoic acid [1-(2,4-dimethylphenyl)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(2,4-dimethylphenyl)-3-methyl-1-oxobutan-2-yl] 4-bromobutanoate Traditional Name: 4-bromobutyric acid [1-(2,4-dimethylbenzoyl)-2-methyl-propyl] ester Formula: C17H23BrO3 MolecularWeight: 355.26672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C(C(C)C)OC(=O)CCCBr)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C(C(C)C)OC(=O)CCCBr)C

InChI

InChI=1S/C17H23BrO3/c1-11(2)17(21-15(19)6-5-9-18)16(20)14-8-7-12(3)10-13(14)4/h7-8,10-11,17H,5-6,9H2,1-4H3