3-(4-methylphenyl)sulfonyloxybutanoate

Systemtic Name: 3-(4-methylphenyl)sulfonyloxybutanoate Openeye Name: 3-(p-tolylsulfonyloxy)butanoate CAS Name: 3-(4-methylphenyl)sulfonyloxybutanoate IUPAC Name: 3-(4-methylphenyl)sulfonyloxybutanoate Traditional Name: 3-tosyloxybutyrate Formula: C11H13O5S- MolecularWeight: 257.28292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CC(=O)[O-]

InChI

InChI=1S/C11H14O5S/c1-8-3-5-10(6-4-8)17(14,15)16-9(2)7-11(12)13/h3-6,9H,7H2,1-2H3,(H,12,13)/p-1