2-(phenylcarbonyl)benzenesulfonic acid trihydrate

Systemtic Name: 2-(phenylcarbonyl)benzenesulfonic acid trihydrate Openeye Name: 2-benzoylbenzenesulfonic acid trihydrate CAS Name: 2-benzoylbenzenesulfonic acid trihydrate IUPAC Name: 2-benzoylbenzenesulfonic acid trihydrate Traditional Name: 2-benzoylbesylic acid trihydrate Formula: C13H16O7S MolecularWeight: 316.32694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2S(=O)(=O)O.O.O.O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2S(=O)(=O)O.O.O.O

InChI

InChI=1S/C13H10O4S.3H2O/c14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)18(15,16)17;;;/h1-9H,(H,15,16,17);3*1H2