cyclohexyl 1-diethoxyphosphoryl-4-[3-(2-phenoxyphenoxy)phenyl]butane-1-sulfonate

Systemtic Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-(2-phenoxyphenoxy)phenyl]butane-1-sulfonate Openeye Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-(2-phenoxyphenoxy)phenyl]butane-1-sulfonate CAS Name: 1-diethoxyphosphoryl-4-[3-(2-phenoxyphenoxy)phenyl]-1-butanesulfonic acid IUPAC Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-(2-phenoxyphenoxy)phenyl]butane-1-sulfonate Traditional Name: 1-diethoxyphosphoryl-4-[3-(2-phenoxyphenoxy)phenyl]butane-1-sulfonic acid cyclohexyl ester Formula: C32H41O8PS MolecularWeight: 616.701901

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=CC=C2OC3=CC=CC=C3)S(=O)(=O)OC4CCCCC4)OCC

Isomeric SMILES

CCOP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=CC=C2OC3=CC=CC=C3)S(=O)(=O)OC4CCCCC4)OCC

InChI

InChI=1S/C32H41O8PS/c1-3-36-41(33,37-4-2)32(42(34,35)40-28-19-9-6-10-20-28)24-14-16-26-15-13-21-29(25-26)39-31-23-12-11-22-30(31)38-27-17-7-5-8-18-27/h5,7-8,11-13,15,17-18,21-23,25,28,32H,3-4,6,9-10,14,16,19-20,24H2,1-2H3