3-(4-hexylsulfonylphenyl)propanoic acid

Systemtic Name: 3-(4-hexylsulfonylphenyl)propanoic acid Openeye Name: 3-(4-hexylsulfonylphenyl)propanoic acid CAS Name: 3-(4-hexylsulfonylphenyl)propanoic acid IUPAC Name: 3-(4-hexylsulfonylphenyl)propanoic acid Traditional Name: 3-(4-hexylsulfonylphenyl)propionic acid Formula: C15H22O4S MolecularWeight: 298.39778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)C1=CC=C(C=C1)CCC(=O)O

Isomeric SMILES

CCCCCCS(=O)(=O)C1=CC=C(C=C1)CCC(=O)O

InChI

InChI=1S/C15H22O4S/c1-2-3-4-5-12-20(18,19)14-9-6-13(7-10-14)8-11-15(16)17/h6-7,9-10H,2-5,8,11-12H2,1H3,(H,16,17)