[2-oxidanylidene-2-(phenylsulfonyloxy)ethyl] heptanoate

Systemtic Name: [2-oxidanylidene-2-(phenylsulfonyloxy)ethyl] heptanoate Openeye Name: [2-(benzenesulfonyloxy)-2-oxo-ethyl] heptanoate CAS Name: heptanoic acid [2-(benzenesulfonyloxy)-2-oxoethyl] ester IUPAC Name: [2-(benzenesulfonyloxy)-2-oxoethyl] heptanoate Traditional Name: enanthic acid (2-besyloxy-2-keto-ethyl) ester Formula: C15H20O6S MolecularWeight: 328.3807

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OCC(=O)OS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCC(=O)OCC(=O)OS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C15H20O6S/c1-2-3-4-8-11-14(16)20-12-15(17)21-22(18,19)13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3