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

Systemtic Name: sodium 2-methoxy-5-(4-methoxy-2-oxidanyl-phenyl)carbonyl-4-oxidanyl-benzenesulfonate Openeye Name: sodium 4-hydroxy-5-(2-hydroxy-4-methoxy-benzoyl)-2-methoxy-benzenesulfonate CAS Name: sodium 4-hydroxy-5-[(2-hydroxy-4-methoxyphenyl)-oxomethyl]-2-methoxybenzenesulfonate IUPAC Name: sodium 4-hydroxy-5-(2-hydroxy-4-methoxybenzoyl)-2-methoxybenzenesulfonate Traditional Name: sodium 4-hydroxy-5-(2-hydroxy-4-methoxy-benzoyl)-2-methoxy-besylate Formula: C15H13NaO8S MolecularWeight: 376.31369

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C2=CC(=C(C=C2O)OC)S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)C2=CC(=C(C=C2O)OC)S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C15H14O8S.Na/c1-22-8-3-4-9(11(16)5-8)15(18)10-6-14(24(19,20)21)13(23-2)7-12(10)17;/h3-7,16-17H,1-2H3,(H,19,20,21);/q;+1/p-1