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

Systemtic Name: tripotassium 4-[3-(4-chloranylphenoxy)phenyl]-1-phosphonato-butane-1-sulfonate Openeye Name: tripotassium 4-[3-(4-chlorophenoxy)phenyl]-1-phosphonato-butane-1-sulfonate CAS Name: tripotassium 4-[3-(4-chlorophenoxy)phenyl]-1-phosphonato-1-butanesulfonate IUPAC Name: tripotassium 4-[3-(4-chlorophenoxy)phenyl]-1-phosphonatobutane-1-sulfonate Traditional Name: tripotassium 4-[3-(4-chlorophenoxy)phenyl]-1-phosphonato-butane-1-sulfonate Formula: C16H15ClK3O7PS MolecularWeight: 535.072761

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClO7PS.3K/c17-13-7-9-14(10-8-13)24-15-5-1-3-12(11-15)4-2-6-16(25(18,19)20)26(21,22)23;;;/h1,3,5,7-11,16H,2,4,6H2,(H2,18,19,20)(H,21,22,23);;;/q;3*+1/p-3