potassium 4-(4-phenoxyphenyl)-1-phosphono-butane-1-sulfonate

Systemtic Name: potassium 4-(4-phenoxyphenyl)-1-phosphono-butane-1-sulfonate Openeye Name: potassium 4-(4-phenoxyphenyl)-1-phosphono-butane-1-sulfonate CAS Name: potassium 4-(4-phenoxyphenyl)-1-phosphono-1-butanesulfonate IUPAC Name: potassium 4-(4-phenoxyphenyl)-1-phosphonobutane-1-sulfonate Traditional Name: potassium 4-(4-phenoxyphenyl)-1-phosphono-butane-1-sulfonate Formula: C16H18KO7PS MolecularWeight: 424.446981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19O7PS.K/c17-24(18,19)16(25(20,21)22)8-4-5-13-9-11-15(12-10-13)23-14-6-2-1-3-7-14;/h1-3,6-7,9-12,16H,4-5,8H2,(H2,17,18,19)(H,20,21,22);/q;+1/p-1