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

Systemtic Name: cyclohexyl 4-[3-(4-tert-butylphenoxy)phenyl]-1-diethoxyphosphoryl-butane-1-sulfonate Openeye Name: cyclohexyl 4-[3-(4-tert-butylphenoxy)phenyl]-1-diethoxyphosphoryl-butane-1-sulfonate CAS Name: 4-[3-(4-tert-butylphenoxy)phenyl]-1-diethoxyphosphoryl-1-butanesulfonic acid IUPAC Name: cyclohexyl 4-[3-(4-tert-butylphenoxy)phenyl]-1-diethoxyphosphorylbutane-1-sulfonate Traditional Name: 4-[3-(4-tert-butylphenoxy)phenyl]-1-diethoxyphosphoryl-butane-1-sulfonic acid cyclohexyl ester Formula: C30H45O7PS MolecularWeight: 580.712861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=C(C=C2)C(C)(C)C)S(=O)(=O)OC3CCCCC3)OCC

Isomeric SMILES

CCOP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=C(C=C2)C(C)(C)C)S(=O)(=O)OC3CCCCC3)OCC

InChI

InChI=1S/C30H45O7PS/c1-6-34-38(31,35-7-2)29(39(32,33)37-27-15-9-8-10-16-27)18-12-14-24-13-11-17-28(23-24)36-26-21-19-25(20-22-26)30(3,4)5/h11,13,17,19-23,27,29H,6-10,12,14-16,18H2,1-5H3