3-(4-propylsulfonylphenyl)sulfanylpropanoic acid

Systemtic Name: 3-(4-propylsulfonylphenyl)sulfanylpropanoic acid Openeye Name: 3-(4-propylsulfonylphenyl)sulfanylpropanoic acid CAS Name: 3-[(4-propylsulfonylphenyl)thio]propanoic acid IUPAC Name: 3-(4-propylsulfonylphenyl)sulfanylpropanoic acid Traditional Name: 3-[(4-propylsulfonylphenyl)thio]propionic acid Formula: C12H16O4S2 MolecularWeight: 288.38304

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=C(C=C1)SCCC(=O)O

Isomeric SMILES

CCCS(=O)(=O)C1=CC=C(C=C1)SCCC(=O)O

InChI

InChI=1S/C12H16O4S2/c1-2-9-18(15,16)11-5-3-10(4-6-11)17-8-7-12(13)14/h3-6H,2,7-9H2,1H3,(H,13,14)