(2,2-dimethyl-3-oxidanyl-propyl) 3-butyl-4-methylsulfonyl-cyclopent-3-ene-1-carboxylate

Systemtic Name: (2,2-dimethyl-3-oxidanyl-propyl) 3-butyl-4-methylsulfonyl-cyclopent-3-ene-1-carboxylate Openeye Name: (3-hydroxy-2,2-dimethyl-propyl) 3-butyl-4-methylsulfonyl-cyclopent-3-ene-1-carboxylate CAS Name: 3-butyl-4-methylsulfonyl-1-cyclopent-3-enecarboxylic acid (3-hydroxy-2,2-dimethylpropyl) ester IUPAC Name: (3-hydroxy-2,2-dimethylpropyl) 3-butyl-4-methylsulfonylcyclopent-3-ene-1-carboxylate Traditional Name: 3-butyl-4-mesyl-cyclopent-3-ene-1-carboxylic acid (3-hydroxy-2,2-dimethyl-propyl) ester Formula: C16H28O5S MolecularWeight: 332.45552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(CC(C1)C(=O)OCC(C)(C)CO)S(=O)(=O)C

Isomeric SMILES

CCCCC1=C(CC(C1)C(=O)OCC(C)(C)CO)S(=O)(=O)C

InChI

InChI=1S/C16H28O5S/c1-5-6-7-12-8-13(9-14(12)22(4,19)20)15(18)21-11-16(2,3)10-17/h13,17H,5-11H2,1-4H3