sodium 5-[2,4-bis(oxidanyl)-5-sulfonato-phenyl]carbonyl-2,4-bis(oxidanyl)benzenesulfonate

Systemtic Name: sodium 5-[2,4-bis(oxidanyl)-5-sulfonato-phenyl]carbonyl-2,4-bis(oxidanyl)benzenesulfonate Openeye Name: sodium 5-(2,4-dihydroxy-5-sulfonato-benzoyl)-2,4-dihydroxy-benzenesulfonate CAS Name: sodium 5-[(2,4-dihydroxy-5-sulfonatophenyl)-oxomethyl]-2,4-dihydroxybenzenesulfonate IUPAC Name: sodium 5-(2,4-dihydroxy-5-sulfonatobenzoyl)-2,4-dihydroxybenzenesulfonate Traditional Name: sodium 5-(2,4-dihydroxy-5-sulfonato-benzoyl)-2,4-dihydroxy-besylate Formula: C13H8NaO11S2- MolecularWeight: 427.31579

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1S(=O)(=O)[O-])O)O)C(=O)C2=CC(=C(C=C2O)O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=C(C(=CC(=C1S(=O)(=O)[O-])O)O)C(=O)C2=CC(=C(C=C2O)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H10O11S2.Na/c14-7-3-9(16)11(25(19,20)21)1-5(7)13(18)6-2-12(26(22,23)24)10(17)4-8(6)15;/h1-4,14-17H,(H,19,20,21)(H,22,23,24);/q;+1/p-2