potassium 4-[3-(4-chloranylphenoxy)phenyl]-1-phosphono-butane-1-sulfonate

Systemtic Name: potassium 4-[3-(4-chloranylphenoxy)phenyl]-1-phosphono-butane-1-sulfonate Openeye Name: potassium 4-[3-(4-chlorophenoxy)phenyl]-1-phosphono-butane-1-sulfonate CAS Name: potassium 4-[3-(4-chlorophenoxy)phenyl]-1-phosphono-1-butanesulfonate IUPAC Name: potassium 4-[3-(4-chlorophenoxy)phenyl]-1-phosphonobutane-1-sulfonate Traditional Name: potassium 4-[3-(4-chlorophenoxy)phenyl]-1-phosphono-butane-1-sulfonate Formula: C16H17ClKO7PS MolecularWeight: 458.892041

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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+]

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClO7PS.K/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;+1/p-1