ethyl 7-(4-chlorophenyl)-2-(phenylsulfonyloxy)heptanoate

Systemtic Name: ethyl 7-(4-chlorophenyl)-2-(phenylsulfonyloxy)heptanoate Openeye Name: ethyl 2-(benzenesulfonyloxy)-7-(4-chlorophenyl)heptanoate CAS Name: 2-(benzenesulfonyloxy)-7-(4-chlorophenyl)heptanoic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfonyloxy)-7-(4-chlorophenyl)heptanoate Traditional Name: 2-besyloxy-7-(4-chlorophenyl)enanthic acid ethyl ester Formula: C21H25ClO5S MolecularWeight: 424.9382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCC1=CC=C(C=C1)Cl)OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CCCCCC1=CC=C(C=C1)Cl)OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H25ClO5S/c1-2-26-21(23)20(27-28(24,25)19-10-6-4-7-11-19)12-8-3-5-9-17-13-15-18(22)16-14-17/h4,6-7,10-11,13-16,20H,2-3,5,8-9,12H2,1H3