sodium 5,7-bis(oxidanyl)-4-oxidanylidene-3-(4-oxidanyl-3-sulfo-phenyl)chromene-6-sulfonic acid

Systemtic Name: sodium 5,7-bis(oxidanyl)-4-oxidanylidene-3-(4-oxidanyl-3-sulfo-phenyl)chromene-6-sulfonic acid Openeye Name: sodium 5,7-dihydroxy-3-(4-hydroxy-3-sulfo-phenyl)-4-oxo-chromene-6-sulfonic acid CAS Name: sodium 5,7-dihydroxy-3-(4-hydroxy-3-sulfophenyl)-4-oxo-1-benzopyran-6-sulfonic acid IUPAC Name: sodium 5,7-dihydroxy-3-(4-hydroxy-3-sulfophenyl)-4-oxochromene-6-sulfonic acid Traditional Name: sodium 5,7-dihydroxy-3-(4-hydroxy-3-sulfo-phenyl)-4-keto-chromene-6-sulfonic acid Formula: C15H10NaO11S2+ MolecularWeight: 453.35307

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=COC3=CC(=C(C(=C3C2=O)O)S(=O)(=O)O)O)S(=O)(=O)O)O.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1C2=COC3=CC(=C(C(=C3C2=O)O)S(=O)(=O)O)O)S(=O)(=O)O)O.[Na+]

InChI

InChI=1S/C15H10O11S2.Na/c16-8-2-1-6(3-11(8)27(20,21)22)7-5-26-10-4-9(17)15(28(23,24)25)14(19)12(10)13(7)18;/h1-5,16-17,19H,(H,20,21,22)(H,23,24,25);/q;+1