tripotassium 4-[4-(4-butylphenyl)phenyl]-1-phosphonato-butane-1-sulfonate

Systemtic Name: tripotassium 4-[4-(4-butylphenyl)phenyl]-1-phosphonato-butane-1-sulfonate Openeye Name: tripotassium 4-[4-(4-butylphenyl)phenyl]-1-phosphonato-butane-1-sulfonate CAS Name: tripotassium 4-[4-(4-butylphenyl)phenyl]-1-phosphonato-1-butanesulfonate IUPAC Name: tripotassium 4-[4-(4-butylphenyl)phenyl]-1-phosphonatobutane-1-sulfonate Traditional Name: tripotassium 4-[4-(4-butylphenyl)phenyl]-1-phosphonato-butane-1-sulfonate Formula: C20H24K3O6PS MolecularWeight: 540.734621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCCC(P(=O)([O-])[O-])S(=O)(=O)[O-].[K+].[K+].[K+]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCCC(P(=O)([O-])[O-])S(=O)(=O)[O-].[K+].[K+].[K+]

InChI

InChI=1S/C20H27O6PS.3K/c1-2-3-5-16-8-12-18(13-9-16)19-14-10-17(11-15-19)6-4-7-20(27(21,22)23)28(24,25)26;;;/h8-15,20H,2-7H2,1H3,(H2,21,22,23)(H,24,25,26);;;/q;3*+1/p-3