sodium 3-[2,5-bis(chloranyl)phenyl]carbonylbenzenesulfonate

Systemtic Name: sodium 3-[2,5-bis(chloranyl)phenyl]carbonylbenzenesulfonate Openeye Name: sodium 3-(2,5-dichlorobenzoyl)benzenesulfonate CAS Name: sodium 3-[(2,5-dichlorophenyl)-oxomethyl]benzenesulfonate IUPAC Name: sodium 3-(2,5-dichlorobenzoyl)benzenesulfonate Traditional Name: sodium 3-(2,5-dichlorobenzoyl)besylate Formula: C13H7Cl2NaO4S MolecularWeight: 353.15305

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)C2=C(C=CC(=C2)Cl)Cl.[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)C2=C(C=CC(=C2)Cl)Cl.[Na+]

InChI

InChI=1S/C13H8Cl2O4S.Na/c14-9-4-5-12(15)11(7-9)13(16)8-2-1-3-10(6-8)20(17,18)19;/h1-7H,(H,17,18,19);/q;+1/p-1