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

Systemtic Name: potassium 4-[3-(phenylmethyl)phenyl]-1-phosphono-butane-1-sulfonate Openeye Name: potassium 4-(3-benzylphenyl)-1-phosphono-butane-1-sulfonate CAS Name: potassium 4-[3-(phenylmethyl)phenyl]-1-phosphono-1-butanesulfonate IUPAC Name: potassium 4-(3-benzylphenyl)-1-phosphonobutane-1-sulfonate Traditional Name: potassium 4-(3-benzylphenyl)-1-phosphono-butane-1-sulfonate Formula: C17H20KO6PS MolecularWeight: 422.474161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=CC=C2)CCCC(P(=O)(O)O)S(=O)(=O)[O-].[K+]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=CC=C2)CCCC(P(=O)(O)O)S(=O)(=O)[O-].[K+]

InChI

InChI=1S/C17H21O6PS.K/c18-24(19,20)17(25(21,22)23)11-5-9-15-8-4-10-16(13-15)12-14-6-2-1-3-7-14;/h1-4,6-8,10,13,17H,5,9,11-12H2,(H2,18,19,20)(H,21,22,23);/q;+1/p-1