(2,2,4,4-tetramethyl-3-oxidanyl-pentyl) 3-bromanylbenzoate

Systemtic Name: (2,2,4,4-tetramethyl-3-oxidanyl-pentyl) 3-bromanylbenzoate Openeye Name: (3-hydroxy-2,2,4,4-tetramethyl-pentyl) 3-bromobenzoate CAS Name: 3-bromobenzoic acid (3-hydroxy-2,2,4,4-tetramethylpentyl) ester IUPAC Name: (3-hydroxy-2,2,4,4-tetramethylpentyl) 3-bromobenzoate Traditional Name: 3-bromobenzoic acid (3-hydroxy-2,2,4,4-tetramethyl-pentyl) ester Formula: C16H23BrO3 MolecularWeight: 343.25602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23BrO3/c1-15(2,3)14(19)16(4,5)10-20-13(18)11-7-6-8-12(17)9-11/h6-9,14,19H,10H2,1-5H3