sodium 2-oxidanyl-5-(7-oxidanyl-4-oxidanylidene-chromen-3-yl)benzenesulfonate

Systemtic Name: sodium 2-oxidanyl-5-(7-oxidanyl-4-oxidanylidene-chromen-3-yl)benzenesulfonate Openeye Name: sodium 2-hydroxy-5-(7-hydroxy-4-oxo-chromen-3-yl)benzenesulfonate CAS Name: sodium 2-hydroxy-5-(7-hydroxy-4-oxo-1-benzopyran-3-yl)benzenesulfonate IUPAC Name: sodium 2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)benzenesulfonate Traditional Name: sodium 2-hydroxy-5-(7-hydroxy-4-keto-chromen-3-yl)besylate Formula: C15H9NaO7S MolecularWeight: 356.28253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=COC3=C(C2=O)C=CC(=C3)O)S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1C2=COC3=C(C2=O)C=CC(=C3)O)S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C15H10O7S.Na/c16-9-2-3-10-13(6-9)22-7-11(15(10)18)8-1-4-12(17)14(5-8)23(19,20)21;/h1-7,16-17H,(H,19,20,21);/q;+1/p-1