sodium 2-methoxy-4-oxidanyl-5-(2-oxidanyl-5-sulfonato-phenyl)carbonyl-benzenesulfonate

Systemtic Name: sodium 2-methoxy-4-oxidanyl-5-(2-oxidanyl-5-sulfonato-phenyl)carbonyl-benzenesulfonate Openeye Name: sodium 4-hydroxy-5-(2-hydroxy-5-sulfonato-benzoyl)-2-methoxy-benzenesulfonate CAS Name: sodium 4-hydroxy-5-[(2-hydroxy-5-sulfonatophenyl)-oxomethyl]-2-methoxybenzenesulfonate IUPAC Name: sodium 4-hydroxy-5-(2-hydroxy-5-sulfonatobenzoyl)-2-methoxybenzenesulfonate Traditional Name: sodium 4-hydroxy-5-(2-hydroxy-5-sulfonato-benzoyl)-2-methoxy-besylate Formula: C14H10NaO10S2- MolecularWeight: 425.34297

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)O)C(=O)C2=C(C=CC(=C2)S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

COC1=C(C=C(C(=C1)O)C(=O)C2=C(C=CC(=C2)S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H12O10S2.Na/c1-24-12-6-11(16)9(5-13(12)26(21,22)23)14(17)8-4-7(25(18,19)20)2-3-10(8)15;/h2-6,15-16H,1H3,(H,18,19,20)(H,21,22,23);/q;+1/p-2