cyclohexyl 1-diethoxyphosphoryl-4-[3-(3-propylphenoxy)phenyl]butane-1-sulfonate

Systemtic Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-(3-propylphenoxy)phenyl]butane-1-sulfonate Openeye Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-(3-propylphenoxy)phenyl]butane-1-sulfonate CAS Name: 1-diethoxyphosphoryl-4-[3-(3-propylphenoxy)phenyl]-1-butanesulfonic acid IUPAC Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-(3-propylphenoxy)phenyl]butane-1-sulfonate Traditional Name: 1-diethoxyphosphoryl-4-[3-(3-propylphenoxy)phenyl]butane-1-sulfonic acid cyclohexyl ester Formula: C29H43O7PS MolecularWeight: 566.686281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC=C1)OC2=CC=CC(=C2)CCCC(P(=O)(OCC)OCC)S(=O)(=O)OC3CCCCC3

Isomeric SMILES

CCCC1=CC(=CC=C1)OC2=CC=CC(=C2)CCCC(P(=O)(OCC)OCC)S(=O)(=O)OC3CCCCC3

InChI

InChI=1S/C29H43O7PS/c1-4-13-24-14-10-19-27(22-24)35-28-20-11-15-25(23-28)16-12-21-29(37(30,33-5-2)34-6-3)38(31,32)36-26-17-8-7-9-18-26/h10-11,14-15,19-20,22-23,26,29H,4-9,12-13,16-18,21H2,1-3H3