dipotassium 3-[3-phosphanyl-2-(3-sulfonatophenyl)phenyl]benzenesulfonate dihydrate

Systemtic Name: dipotassium 3-[3-phosphanyl-2-(3-sulfonatophenyl)phenyl]benzenesulfonate dihydrate Openeye Name: dipotassium 3-[3-phosphanyl-2-(3-sulfonatophenyl)phenyl]benzenesulfonate dihydrate CAS Name: dipotassium 3-[3-phosphino-2-(3-sulfonatophenyl)phenyl]benzenesulfonate dihydrate IUPAC Name: dipotassium 3-[3-phosphanyl-2-(3-sulfonatophenyl)phenyl]benzenesulfonate dihydrate Traditional Name: dipotassium 3-[3-phosphino-2-(3-sulfonatophenyl)phenyl]besylate dihydrate Formula: C18H17K2O8PS2 MolecularWeight: 534.623141

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])C2=C(C(=CC=C2)P)C3=CC(=CC=C3)S(=O)(=O)[O-].O.O.[K+].[K+]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])C2=C(C(=CC=C2)P)C3=CC(=CC=C3)S(=O)(=O)[O-].O.O.[K+].[K+]

InChI

InChI=1S/C18H15O6PS2.2K.2H2O/c19-26(20,21)14-6-1-4-12(10-14)16-8-3-9-17(25)18(16)13-5-2-7-15(11-13)27(22,23)24;;;;/h1-11H,25H2,(H,19,20,21)(H,22,23,24);;;2*1H2/q;2*+1;;/p-2