potassium 4-[3-[4-(phenylmethyl)phenoxy]phenyl]-1-phosphono-butane-1-sulfonate

Systemtic Name: potassium 4-[3-[4-(phenylmethyl)phenoxy]phenyl]-1-phosphono-butane-1-sulfonate Openeye Name: potassium 4-[3-(4-benzylphenoxy)phenyl]-1-phosphono-butane-1-sulfonate CAS Name: potassium 4-[3-[4-(phenylmethyl)phenoxy]phenyl]-1-phosphono-1-butanesulfonate IUPAC Name: potassium 4-[3-(4-benzylphenoxy)phenyl]-1-phosphonobutane-1-sulfonate Traditional Name: potassium 4-[3-(4-benzylphenoxy)phenyl]-1-phosphono-butane-1-sulfonate Formula: C23H24KO7PS MolecularWeight: 514.569521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=C(C=C2)OC3=CC=CC(=C3)CCCC(P(=O)(O)O)S(=O)(=O)[O-].[K+]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)OC3=CC=CC(=C3)CCCC(P(=O)(O)O)S(=O)(=O)[O-].[K+]

InChI

InChI=1S/C23H25O7PS.K/c24-31(25,26)23(32(27,28)29)11-5-9-19-8-4-10-22(17-19)30-21-14-12-20(13-15-21)16-18-6-2-1-3-7-18;/h1-4,6-8,10,12-15,17,23H,5,9,11,16H2,(H2,24,25,26)(H,27,28,29);/q;+1/p-1