sodium 5-[6-methoxy-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]-2-oxidanyl-benzenesulfonate

Systemtic Name: sodium 5-[6-methoxy-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]-2-oxidanyl-benzenesulfonate Openeye Name: sodium 5-(5,7-dihydroxy-6-methoxy-4-oxo-chromen-3-yl)-2-hydroxy-benzenesulfonate CAS Name: sodium 5-(5,7-dihydroxy-6-methoxy-4-oxo-1-benzopyran-3-yl)-2-hydroxybenzenesulfonate IUPAC Name: sodium 5-(5,7-dihydroxy-6-methoxy-4-oxochromen-3-yl)-2-hydroxybenzenesulfonate Traditional Name: sodium 5-(5,7-dihydroxy-4-keto-6-methoxy-chromen-3-yl)-2-hydroxy-besylate Formula: C16H11NaO9S MolecularWeight: 402.30791

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC(=C(C=C3)O)S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC(=C(C=C3)O)S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C16H12O9S.Na/c1-24-16-10(18)5-11-13(15(16)20)14(19)8(6-25-11)7-2-3-9(17)12(4-7)26(21,22)23;/h2-6,17-18,20H,1H3,(H,21,22,23);/q;+1/p-1