tripotassium 4-[3-(4-tert-butylphenoxy)phenyl]-1-phosphonato-butane-1-sulfonate

Systemtic Name: tripotassium 4-[3-(4-tert-butylphenoxy)phenyl]-1-phosphonato-butane-1-sulfonate Openeye Name: tripotassium 4-[3-(4-tert-butylphenoxy)phenyl]-1-phosphonato-butane-1-sulfonate CAS Name: tripotassium 4-[3-(4-tert-butylphenoxy)phenyl]-1-phosphonato-1-butanesulfonate IUPAC Name: tripotassium 4-[3-(4-tert-butylphenoxy)phenyl]-1-phosphonatobutane-1-sulfonate Traditional Name: tripotassium 4-[3-(4-tert-butylphenoxy)phenyl]-1-phosphonato-butane-1-sulfonate Formula: C20H24K3O7PS MolecularWeight: 556.734021

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=CC=CC(=C2)CCCC(P(=O)([O-])[O-])S(=O)(=O)[O-].[K+].[K+].[K+]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=CC=CC(=C2)CCCC(P(=O)([O-])[O-])S(=O)(=O)[O-].[K+].[K+].[K+]

InChI

InChI=1S/C20H27O7PS.3K/c1-20(2,3)16-10-12-17(13-11-16)27-18-8-4-6-15(14-18)7-5-9-19(28(21,22)23)29(24,25)26;;;/h4,6,8,10-14,19H,5,7,9H2,1-3H3,(H2,21,22,23)(H,24,25,26);;;/q;3*+1/p-3