undecyl 3-phenethylsulfonylpropanoate

Systemtic Name: undecyl 3-phenethylsulfonylpropanoate Openeye Name: undecyl 3-phenethylsulfonylpropanoate CAS Name: 3-phenethylsulfonylpropanoic acid undecyl ester IUPAC Name: undecyl 3-phenethylsulfonylpropanoate Traditional Name: 3-phenethylsulfonylpropionic acid undecyl ester Formula: C22H36O4S MolecularWeight: 396.58384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC(=O)CCS(=O)(=O)CCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCOC(=O)CCS(=O)(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C22H36O4S/c1-2-3-4-5-6-7-8-9-13-18-26-22(23)17-20-27(24,25)19-16-21-14-11-10-12-15-21/h10-12,14-15H,2-9,13,16-20H2,1H3