sodium 4-[4-[2,5-bis(chloranyl)phenyl]carbonylphenoxy]benzenesulfonate

Systemtic Name: sodium 4-[4-[2,5-bis(chloranyl)phenyl]carbonylphenoxy]benzenesulfonate Openeye Name: sodium 4-[4-(2,5-dichlorobenzoyl)phenoxy]benzenesulfonate CAS Name: sodium 4-[4-[(2,5-dichlorophenyl)-oxomethyl]phenoxy]benzenesulfonate IUPAC Name: sodium 4-[4-(2,5-dichlorobenzoyl)phenoxy]benzenesulfonate Traditional Name: sodium 4-[4-(2,5-dichlorobenzoyl)phenoxy]besylate Formula: C19H11Cl2NaO5S MolecularWeight: 445.24841

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=C(C=CC(=C2)Cl)Cl)OC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=C(C=CC(=C2)Cl)Cl)OC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H12Cl2O5S.Na/c20-13-3-10-18(21)17(11-13)19(22)12-1-4-14(5-2-12)26-15-6-8-16(9-7-15)27(23,24)25;/h1-11H,(H,23,24,25);/q;+1/p-1