calcium 3-(3-sulfonatophenyl)benzenesulfonate

Systemtic Name: calcium 3-(3-sulfonatophenyl)benzenesulfonate Openeye Name: calcium 3-(3-sulfonatophenyl)benzenesulfonate CAS Name: calcium 3-(3-sulfonatophenyl)benzenesulfonate IUPAC Name: calcium 3-(3-sulfonatophenyl)benzenesulfonate Traditional Name: calcium 3-(3-sulfonatophenyl)besylate Formula: C12H8CaO6S2 MolecularWeight: 352.39632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])C2=CC(=CC=C2)S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])C2=CC(=CC=C2)S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/C12H10O6S2.Ca/c13-19(14,15)11-5-1-3-9(7-11)10-4-2-6-12(8-10)20(16,17)18;/h1-8H,(H,13,14,15)(H,16,17,18);/q;+2/p-2