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

Systemtic Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-[2-(phenylmethyl)phenoxy]phenyl]butane-1-sulfonate Openeye Name: cyclohexyl 4-[3-(2-benzylphenoxy)phenyl]-1-diethoxyphosphoryl-butane-1-sulfonate CAS Name: 1-diethoxyphosphoryl-4-[3-[2-(phenylmethyl)phenoxy]phenyl]-1-butanesulfonic acid IUPAC Name: cyclohexyl 4-[3-(2-benzylphenoxy)phenyl]-1-diethoxyphosphorylbutane-1-sulfonate Traditional Name: 4-[3-(2-benzylphenoxy)phenyl]-1-diethoxyphosphoryl-butane-1-sulfonic acid cyclohexyl ester Formula: C33H43O7PS MolecularWeight: 614.729081

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=CC=C2CC3=CC=CC=C3)S(=O)(=O)OC4CCCCC4)OCC

Isomeric SMILES

CCOP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=CC=C2CC3=CC=CC=C3)S(=O)(=O)OC4CCCCC4)OCC

InChI

InChI=1S/C33H43O7PS/c1-3-37-41(34,38-4-2)33(42(35,36)40-30-20-9-6-10-21-30)24-14-18-28-17-13-22-31(26-28)39-32-23-12-11-19-29(32)25-27-15-7-5-8-16-27/h5,7-8,11-13,15-17,19,22-23,26,30,33H,3-4,6,9-10,14,18,20-21,24-25H2,1-2H3