tripotassium 4-[4-(4-phenylphenyl)phenyl]-1-phosphonato-butane-1-sulfonate

Systemtic Name: tripotassium 4-[4-(4-phenylphenyl)phenyl]-1-phosphonato-butane-1-sulfonate Openeye Name: tripotassium 4-[4-(4-phenylphenyl)phenyl]-1-phosphonato-butane-1-sulfonate CAS Name: tripotassium 4-[4-(4-phenylphenyl)phenyl]-1-phosphonato-1-butanesulfonate IUPAC Name: tripotassium 4-[4-(4-phenylphenyl)phenyl]-1-phosphonatobutane-1-sulfonate Traditional Name: tripotassium 4-[4-(4-phenylphenyl)phenyl]-1-phosphonato-butane-1-sulfonate Formula: C22H20K3O6PS MolecularWeight: 560.724261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23O6PS.3K/c23-29(24,25)22(30(26,27)28)8-4-5-17-9-11-19(12-10-17)21-15-13-20(14-16-21)18-6-2-1-3-7-18;;;/h1-3,6-7,9-16,22H,4-5,8H2,(H2,23,24,25)(H,26,27,28);;;/q;3*+1/p-3