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

Systemtic Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-(2-methylphenoxy)phenyl]butane-1-sulfonate Openeye Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-(2-methylphenoxy)phenyl]butane-1-sulfonate CAS Name: 1-diethoxyphosphoryl-4-[3-(2-methylphenoxy)phenyl]-1-butanesulfonic acid IUPAC Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-(2-methylphenoxy)phenyl]butane-1-sulfonate Traditional Name: 1-diethoxyphosphoryl-4-[3-(2-methylphenoxy)phenyl]butane-1-sulfonic acid cyclohexyl ester Formula: C27H39O7PS MolecularWeight: 538.633121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39O7PS/c1-4-31-35(28,32-5-2)27(36(29,30)34-24-16-7-6-8-17-24)20-12-15-23-14-11-18-25(21-23)33-26-19-10-9-13-22(26)3/h9-11,13-14,18-19,21,24,27H,4-8,12,15-17,20H2,1-3H3