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

Systemtic Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-[2-(trifluoromethyl)phenoxy]phenyl]butane-1-sulfonate Openeye Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-[2-(trifluoromethyl)phenoxy]phenyl]butane-1-sulfonate CAS Name: 1-diethoxyphosphoryl-4-[3-[2-(trifluoromethyl)phenoxy]phenyl]-1-butanesulfonic acid IUPAC Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-[2-(trifluoromethyl)phenoxy]phenyl]butane-1-sulfonate Traditional Name: 1-diethoxyphosphoryl-4-[3-[2-(trifluoromethyl)phenoxy]phenyl]butane-1-sulfonic acid cyclohexyl ester Formula: C27H36F3O7PS MolecularWeight: 592.604511

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=CC=C2C(F)(F)F)S(=O)(=O)OC3CCCCC3)OCC

Isomeric SMILES

CCOP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=CC=C2C(F)(F)F)S(=O)(=O)OC3CCCCC3)OCC

InChI

InChI=1S/C27H36F3O7PS/c1-3-34-38(31,35-4-2)26(39(32,33)37-22-14-6-5-7-15-22)19-11-13-21-12-10-16-23(20-21)36-25-18-9-8-17-24(25)27(28,29)30/h8-10,12,16-18,20,22,26H,3-7,11,13-15,19H2,1-2H3