sodium 2,3-dimethoxy-4,5-bis(oxidanyl)-6-(phenylcarbonyl)benzenesulfonate

Systemtic Name: sodium 2,3-dimethoxy-4,5-bis(oxidanyl)-6-(phenylcarbonyl)benzenesulfonate Openeye Name: sodium 2-benzoyl-3,4-dihydroxy-5,6-dimethoxy-benzenesulfonate CAS Name: sodium 2-benzoyl-3,4-dihydroxy-5,6-dimethoxybenzenesulfonate IUPAC Name: sodium 2-benzoyl-3,4-dihydroxy-5,6-dimethoxybenzenesulfonate Traditional Name: sodium 2-benzoyl-3,4-dihydroxy-5,6-dimethoxy-besylate Formula: C15H13NaO8S MolecularWeight: 376.31369

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1OC)S(=O)(=O)[O-])C(=O)C2=CC=CC=C2)O)O.[Na+]

Isomeric SMILES

COC1=C(C(=C(C(=C1OC)S(=O)(=O)[O-])C(=O)C2=CC=CC=C2)O)O.[Na+]

InChI

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