sodium 5-chloranyl-3-[(5-chloranyl-2-oxidanyl-3-sulfonato-phenyl)methyl]-2-oxidanyl-benzenesulfonate

Systemtic Name: sodium 5-chloranyl-3-[(5-chloranyl-2-oxidanyl-3-sulfonato-phenyl)methyl]-2-oxidanyl-benzenesulfonate Openeye Name: sodium 5-chloro-3-[(5-chloro-2-hydroxy-3-sulfonato-phenyl)methyl]-2-hydroxy-benzenesulfonate CAS Name: sodium 5-chloro-3-[(5-chloro-2-hydroxy-3-sulfonatophenyl)methyl]-2-hydroxybenzenesulfonate IUPAC Name: sodium 5-chloro-3-[(5-chloro-2-hydroxy-3-sulfonatophenyl)methyl]-2-hydroxybenzenesulfonate Traditional Name: sodium 5-chloro-3-(5-chloro-2-hydroxy-3-sulfonato-benzyl)-2-hydroxy-besylate Formula: C13H8Cl2NaO8S2- MolecularWeight: 450.22359

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1S(=O)(=O)[O-])O)CC2=CC(=CC(=C2O)S(=O)(=O)[O-])Cl)Cl.[Na+]

Isomeric SMILES

C1=C(C=C(C(=C1S(=O)(=O)[O-])O)CC2=CC(=CC(=C2O)S(=O)(=O)[O-])Cl)Cl.[Na+]

InChI

InChI=1S/C13H10Cl2O8S2.Na/c14-8-2-6(12(16)10(4-8)24(18,19)20)1-7-3-9(15)5-11(13(7)17)25(21,22)23;/h2-5,16-17H,1H2,(H,18,19,20)(H,21,22,23);/q;+1/p-2