potassium 5,7-bis(1-hydroxyethyl)-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name: potassium 5,7-bis(1-hydroxyethyl)-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: potassium 5,7-bis(1-hydroxyethyl)-9-oxo-xanthene-2-carboxylate CAS Name: potassium 5,7-bis(1-hydroxyethyl)-9-oxo-2-xanthenecarboxylate IUPAC Name: potassium 5,7-bis(1-hydroxyethyl)-9-oxoxanthene-2-carboxylate Traditional Name: potassium 5,7-bis(1-hydroxyethyl)-9-keto-xanthene-2-carboxylate Formula: C18H15KO6 MolecularWeight: 366.4064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)[O-])C(C)O)O.[K+]

Isomeric SMILES

CC(C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)[O-])C(C)O)O.[K+]

InChI

InChI=1S/C18H16O6.K/c1-8(19)11-6-12(9(2)20)17-14(7-11)16(21)13-5-10(18(22)23)3-4-15(13)24-17;/h3-9,19-20H,1-2H3,(H,22,23);/q;+1/p-1