methyl 4-bromanyl-2-methyl-2-(phenylsulfonyl)butanoate

Systemtic Name: methyl 4-bromanyl-2-methyl-2-(phenylsulfonyl)butanoate Openeye Name: methyl 2-(benzenesulfonyl)-4-bromo-2-methyl-butanoate CAS Name: 2-(benzenesulfonyl)-4-bromo-2-methylbutanoic acid methyl ester IUPAC Name: methyl 2-(benzenesulfonyl)-4-bromo-2-methylbutanoate Traditional Name: 2-besyl-4-bromo-2-methyl-butyric acid methyl ester Formula: C12H15BrO4S MolecularWeight: 335.2141

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCBr)(C(=O)OC)S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(CCBr)(C(=O)OC)S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H15BrO4S/c1-12(8-9-13,11(14)17-2)18(15,16)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3