tripotassium 4-[3-(2-phenoxyphenoxy)phenyl]-1-phosphonato-butane-1-sulfonate

Systemtic Name: tripotassium 4-[3-(2-phenoxyphenoxy)phenyl]-1-phosphonato-butane-1-sulfonate Openeye Name: tripotassium 4-[3-(2-phenoxyphenoxy)phenyl]-1-phosphonato-butane-1-sulfonate CAS Name: tripotassium 4-[3-(2-phenoxyphenoxy)phenyl]-1-phosphonato-1-butanesulfonate IUPAC Name: tripotassium 4-[3-(2-phenoxyphenoxy)phenyl]-1-phosphonatobutane-1-sulfonate Traditional Name: tripotassium 4-[3-(2-phenoxyphenoxy)phenyl]-1-phosphonato-butane-1-sulfonate Formula: C22H20K3O8PS MolecularWeight: 592.723061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2OC3=CC=CC(=C3)CCCC(P(=O)([O-])[O-])S(=O)(=O)[O-].[K+].[K+].[K+]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2OC3=CC=CC(=C3)CCCC(P(=O)([O-])[O-])S(=O)(=O)[O-].[K+].[K+].[K+]

InChI

InChI=1S/C22H23O8PS.3K/c23-31(24,25)22(32(26,27)28)15-7-9-17-8-6-12-19(16-17)30-21-14-5-4-13-20(21)29-18-10-2-1-3-11-18;;;/h1-6,8,10-14,16,22H,7,9,15H2,(H2,23,24,25)(H,26,27,28);;;/q;3*+1/p-3