[3-methyl-4-(phenylsulfonyl)butyl] ethanoate

Systemtic Name: [3-methyl-4-(phenylsulfonyl)butyl] ethanoate Openeye Name: [4-(benzenesulfonyl)-3-methyl-butyl] acetate CAS Name: acetic acid [4-(benzenesulfonyl)-3-methylbutyl] ester IUPAC Name: [4-(benzenesulfonyl)-3-methylbutyl] acetate Traditional Name: acetic acid (4-besyl-3-methyl-butyl) ester Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC(=O)C)CS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(CCOC(=O)C)CS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H18O4S/c1-11(8-9-17-12(2)14)10-18(15,16)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3