1-diethoxyphosphoryl-4-[4-(4-ethylphenyl)phenyl]butane-1-sulfonic acid

Systemtic Name: 1-diethoxyphosphoryl-4-[4-(4-ethylphenyl)phenyl]butane-1-sulfonic acid Openeye Name: 1-diethoxyphosphoryl-4-[4-(4-ethylphenyl)phenyl]butane-1-sulfonic acid CAS Name: 1-diethoxyphosphoryl-4-[4-(4-ethylphenyl)phenyl]-1-butanesulfonic acid IUPAC Name: 1-diethoxyphosphoryl-4-[4-(4-ethylphenyl)phenyl]butane-1-sulfonic acid Traditional Name: 1-diethoxyphosphoryl-4-[4-(4-ethylphenyl)phenyl]butane-1-sulfonic acid Formula: C22H31O6PS MolecularWeight: 454.516701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC=C(C=C2)CCCC(P(=O)(OCC)OCC)S(=O)(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC=C(C=C2)CCCC(P(=O)(OCC)OCC)S(=O)(=O)O

InChI

InChI=1S/C22H31O6PS/c1-4-18-10-14-20(15-11-18)21-16-12-19(13-17-21)8-7-9-22(30(24,25)26)29(23,27-5-2)28-6-3/h10-17,22H,4-9H2,1-3H3,(H,24,25,26)