5-oxidanyl-4-oxidanylidene-2-[2,3,4-tris(oxidanyl)-5-sulfo-phenyl]chromene-8-sulfonic acid

Systemtic Name: 5-oxidanyl-4-oxidanylidene-2-[2,3,4-tris(oxidanyl)-5-sulfo-phenyl]chromene-8-sulfonic acid Openeye Name: 5-hydroxy-4-oxo-2-(2,3,4-trihydroxy-5-sulfo-phenyl)chromene-8-sulfonic acid CAS Name: 5-hydroxy-4-oxo-2-(2,3,4-trihydroxy-5-sulfophenyl)-1-benzopyran-8-sulfonic acid IUPAC Name: 5-hydroxy-4-oxo-2-(2,3,4-trihydroxy-5-sulfophenyl)chromene-8-sulfonic acid Traditional Name: 5-hydroxy-4-keto-2-(2,3,4-trihydroxy-5-sulfo-phenyl)chromene-8-sulfonic acid Formula: C15H10O12S2 MolecularWeight: 446.3627

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C(=C3O)O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C(=C3O)O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H10O12S2/c16-6-1-2-9(28(21,22)23)15-11(6)7(17)4-8(27-15)5-3-10(29(24,25)26)13(19)14(20)12(5)18/h1-4,16,18-20H,(H,21,22,23)(H,24,25,26)