potassium 4-[3-[2-(phenylmethyl)phenoxy]phenyl]-1-phosphono-butane-1-sulfonate

Systemtic Name: potassium 4-[3-[2-(phenylmethyl)phenoxy]phenyl]-1-phosphono-butane-1-sulfonate Openeye Name: potassium 4-[3-(2-benzylphenoxy)phenyl]-1-phosphono-butane-1-sulfonate CAS Name: potassium 4-[3-[2-(phenylmethyl)phenoxy]phenyl]-1-phosphono-1-butanesulfonate IUPAC Name: potassium 4-[3-(2-benzylphenoxy)phenyl]-1-phosphonobutane-1-sulfonate Traditional Name: potassium 4-[3-(2-benzylphenoxy)phenyl]-1-phosphono-butane-1-sulfonate Formula: C23H24KO7PS MolecularWeight: 514.569521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2OC3=CC=CC(=C3)CCCC(P(=O)(O)O)S(=O)(=O)[O-].[K+]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2OC3=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)15-7-11-19-10-6-13-21(17-19)30-22-14-5-4-12-20(22)16-18-8-2-1-3-9-18;/h1-6,8-10,12-14,17,23H,7,11,15-16H2,(H2,24,25,26)(H,27,28,29);/q;+1/p-1