1-diethoxyphosphoryl-4-(4-phenethyloxyphenyl)butane-1-sulfonic acid

Systemtic Name: 1-diethoxyphosphoryl-4-(4-phenethyloxyphenyl)butane-1-sulfonic acid Openeye Name: 1-diethoxyphosphoryl-4-(4-phenethyloxyphenyl)butane-1-sulfonic acid CAS Name: 1-diethoxyphosphoryl-4-(4-phenethyloxyphenyl)-1-butanesulfonic acid IUPAC Name: 1-diethoxyphosphoryl-4-(4-phenethyloxyphenyl)butane-1-sulfonic acid Traditional Name: 1-diethoxyphosphoryl-4-(4-phenethyloxyphenyl)butane-1-sulfonic acid Formula: C22H31O7PS MolecularWeight: 470.516101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCCC1=CC=C(C=C1)OCCC2=CC=CC=C2)S(=O)(=O)O)OCC

Isomeric SMILES

CCOP(=O)(C(CCCC1=CC=C(C=C1)OCCC2=CC=CC=C2)S(=O)(=O)O)OCC

InChI

InChI=1S/C22H31O7PS/c1-3-28-30(23,29-4-2)22(31(24,25)26)12-8-11-20-13-15-21(16-14-20)27-18-17-19-9-6-5-7-10-19/h5-7,9-10,13-16,22H,3-4,8,11-12,17-18H2,1-2H3,(H,24,25,26)