butyl 2-chloranyl-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propanoate

Systemtic Name: butyl 2-chloranyl-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propanoate Openeye Name: butyl 2-chloro-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propanoate CAS Name: 2-chloro-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propanoic acid butyl ester IUPAC Name: butyl 2-chloro-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propanoate Traditional Name: 2-chloro-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propionic acid butyl ester Formula: C22H27ClO6S MolecularWeight: 454.96418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CC1=CC=C(C=C1)CCOC2=CC=C(C=C2)OS(=O)(=O)C)Cl

Isomeric SMILES

CCCCOC(=O)C(CC1=CC=C(C=C1)CCOC2=CC=C(C=C2)OS(=O)(=O)C)Cl

InChI

InChI=1S/C22H27ClO6S/c1-3-4-14-28-22(24)21(23)16-18-7-5-17(6-8-18)13-15-27-19-9-11-20(12-10-19)29-30(2,25)26/h5-12,21H,3-4,13-16H2,1-2H3