methyl 4-methyl-2-(phenylsulfonyl)hexanoate

Systemtic Name: methyl 4-methyl-2-(phenylsulfonyl)hexanoate Openeye Name: methyl 2-(benzenesulfonyl)-4-methyl-hexanoate CAS Name: 2-(benzenesulfonyl)-4-methylhexanoic acid methyl ester IUPAC Name: methyl 2-(benzenesulfonyl)-4-methylhexanoate Traditional Name: 2-besyl-4-methyl-hexanoic acid methyl ester Formula: C14H17O4S MolecularWeight: 281.34738

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Descriptors Computed from Structure

Canonical SMILES:

C[C](CC(C(=O)OC)S(=O)(=O)C1=CC=CC=C1)[CH][CH2]

Isomeric SMILES

C[C](CC(C(=O)OC)S(=O)(=O)C1=CC=CC=C1)[CH][CH2]

InChI

InChI=1S/C14H17O4S/c1-4-11(2)10-13(14(15)18-3)19(16,17)12-8-6-5-7-9-12/h4-9,13H,1,10H2,2-3H3