tripotassium 4-[3-[4-(phenylmethyl)phenoxy]phenyl]-1-phosphonato-butane-1-sulfonate

Systemtic Name: tripotassium 4-[3-[4-(phenylmethyl)phenoxy]phenyl]-1-phosphonato-butane-1-sulfonate Openeye Name: tripotassium 4-[3-(4-benzylphenoxy)phenyl]-1-phosphonato-butane-1-sulfonate CAS Name: tripotassium 4-[3-[4-(phenylmethyl)phenoxy]phenyl]-1-phosphonato-1-butanesulfonate IUPAC Name: tripotassium 4-[3-(4-benzylphenoxy)phenyl]-1-phosphonatobutane-1-sulfonate Traditional Name: tripotassium 4-[3-(4-benzylphenoxy)phenyl]-1-phosphonato-butane-1-sulfonate Formula: C23H22K3O7PS MolecularWeight: 590.750241

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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+].[K+].[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+].[K+].[K+]

InChI

InChI=1S/C23H25O7PS.3K/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;3*+1/p-3