5-bromanyl-2-methyl-2-(phenylsulfonyl)pentanoic acid

Systemtic Name: 5-bromanyl-2-methyl-2-(phenylsulfonyl)pentanoic acid Openeye Name: 2-(benzenesulfonyl)-5-bromo-2-methyl-pentanoic acid CAS Name: 2-(benzenesulfonyl)-5-bromo-2-methylpentanoic acid IUPAC Name: 2-(benzenesulfonyl)-5-bromo-2-methylpentanoic acid Traditional Name: 2-besyl-5-bromo-2-methyl-valeric acid Formula: C12H15BrO4S MolecularWeight: 335.2141

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCBr)(C(=O)O)S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(CCCBr)(C(=O)O)S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H15BrO4S/c1-12(11(14)15,8-5-9-13)18(16,17)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,14,15)