(2,2,4-trimethyl-3-oxidanylidene-pentyl) 3-bromanylbenzoate

Systemtic Name: (2,2,4-trimethyl-3-oxidanylidene-pentyl) 3-bromanylbenzoate Openeye Name: (2,2,4-trimethyl-3-oxo-pentyl) 3-bromobenzoate CAS Name: 3-bromobenzoic acid (2,2,4-trimethyl-3-oxopentyl) ester IUPAC Name: (2,2,4-trimethyl-3-oxopentyl) 3-bromobenzoate Traditional Name: 3-bromobenzoic acid (3-keto-2,2,4-trimethyl-pentyl) ester Formula: C15H19BrO3 MolecularWeight: 327.21356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19BrO3/c1-10(2)13(17)15(3,4)9-19-14(18)11-6-5-7-12(16)8-11/h5-8,10H,9H2,1-4H3