(3,3-dimethyl-2-oxidanylidene-butyl) 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C15H20O5S MolecularWeight: 312.3813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C15H20O5S/c1-10-6-7-11(21(5,18)19)8-12(10)14(17)20-9-13(16)15(2,3)4/h6-8H,9H2,1-5H3