dipotassium 6,6-bis(fluoranyl)-3-(3-sulfonatophenyl)carbonyl-cyclohexa-1,4-diene-1-sulfonate

Systemtic Name: dipotassium 6,6-bis(fluoranyl)-3-(3-sulfonatophenyl)carbonyl-cyclohexa-1,4-diene-1-sulfonate Openeye Name: dipotassium 6,6-difluoro-3-(3-sulfonatobenzoyl)cyclohexa-1,4-diene-1-sulfonate CAS Name: dipotassium 6,6-difluoro-3-[oxo-(3-sulfonatophenyl)methyl]-1-cyclohexa-1,4-dienesulfonate IUPAC Name: dipotassium 6,6-difluoro-3-(3-sulfonatobenzoyl)cyclohexa-1,4-diene-1-sulfonate Traditional Name: dipotassium 6,6-difluoro-3-(3-sulfonatobenzoyl)cyclohexa-1,4-diene-1-sulfonate Formula: C13H8F2K2O7S2 MolecularWeight: 456.521826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)C2C=CC(C(=C2)S(=O)(=O)[O-])(F)F.[K+].[K+]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)C2C=CC(C(=C2)S(=O)(=O)[O-])(F)F.[K+].[K+]

InChI

InChI=1S/C13H10F2O7S2.2K/c14-13(15)5-4-9(7-11(13)24(20,21)22)12(16)8-2-1-3-10(6-8)23(17,18)19;;/h1-7,9H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2