3-phenethylsulfonylpropanoate

Systemtic Name: 3-phenethylsulfonylpropanoate Openeye Name: 3-phenethylsulfonylpropanoate CAS Name: 3-phenethylsulfonylpropanoate IUPAC Name: 3-phenethylsulfonylpropanoate Traditional Name: 3-phenethylsulfonylpropionate Formula: C11H13O4S- MolecularWeight: 241.28352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCS(=O)(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCS(=O)(=O)CCC(=O)[O-]

InChI

InChI=1S/C11H14O4S/c12-11(13)7-9-16(14,15)8-6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,12,13)/p-1