3-[4-(phenylcarbonyl)phenoxy]propane-1-sulfonic acid

Systemtic Name: 3-[4-(phenylcarbonyl)phenoxy]propane-1-sulfonic acid Openeye Name: 3-(4-benzoylphenoxy)propane-1-sulfonic acid CAS Name: 3-(4-benzoylphenoxy)-1-propanesulfonic acid IUPAC Name: 3-(4-benzoylphenoxy)propane-1-sulfonic acid Traditional Name: 3-(4-benzoylphenoxy)propane-1-sulfonic acid Formula: C16H16O5S MolecularWeight: 320.36024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCCCS(=O)(=O)O

InChI

InChI=1S/C16H16O5S/c17-16(13-5-2-1-3-6-13)14-7-9-15(10-8-14)21-11-4-12-22(18,19)20/h1-3,5-10H,4,11-12H2,(H,18,19,20)