(3,3-dimethyl-2-oxidanylidene-butyl) 1-(4-bromophenyl)sulfonylcyclopentane-1-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1-(4-bromophenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1-(4-bromophenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(4-bromophenyl)sulfonyl-1-cyclopentanecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 1-(4-bromophenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-brosylcyclopentanecarboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H23BrO5S MolecularWeight: 431.34122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1(CCCC1)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1(CCCC1)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H23BrO5S/c1-17(2,3)15(20)12-24-16(21)18(10-4-5-11-18)25(22,23)14-8-6-13(19)7-9-14/h6-9H,4-5,10-12H2,1-3H3