potassium 5-methoxy-1,3-bis(oxidanyl)-9-oxidanylidene-xanthene-4-sulfonate

Systemtic Name: potassium 5-methoxy-1,3-bis(oxidanyl)-9-oxidanylidene-xanthene-4-sulfonate Openeye Name: potassium 1,3-dihydroxy-5-methoxy-9-oxo-xanthene-4-sulfonate CAS Name: potassium 1,3-dihydroxy-5-methoxy-9-oxo-4-xanthenesulfonate IUPAC Name: potassium 1,3-dihydroxy-5-methoxy-9-oxoxanthene-4-sulfonate Traditional Name: potassium 1,3-dihydroxy-9-keto-5-methoxy-xanthene-4-sulfonate Formula: C14H9KO8S MolecularWeight: 376.37976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC3=C(C2=O)C(=CC(=C3S(=O)(=O)[O-])O)O.[K+]

Isomeric SMILES

COC1=CC=CC2=C1OC3=C(C2=O)C(=CC(=C3S(=O)(=O)[O-])O)O.[K+]

InChI

InChI=1S/C14H10O8S.K/c1-21-9-4-2-3-6-11(17)10-7(15)5-8(16)14(23(18,19)20)13(10)22-12(6)9;/h2-5,15-16H,1H3,(H,18,19,20);/q;+1/p-1