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

Systemtic Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-(4-oxidanylphenoxy)phenyl]butane-1-sulfonate Openeye Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-(4-hydroxyphenoxy)phenyl]butane-1-sulfonate CAS Name: 1-diethoxyphosphoryl-4-[3-(4-hydroxyphenoxy)phenyl]-1-butanesulfonic acid IUPAC Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-(4-hydroxyphenoxy)phenyl]butane-1-sulfonate Traditional Name: 1-diethoxyphosphoryl-4-[3-(4-hydroxyphenoxy)phenyl]butane-1-sulfonic acid cyclohexyl ester Formula: C26H37O8PS MolecularWeight: 540.605941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37O8PS/c1-3-31-35(28,32-4-2)26(36(29,30)34-24-12-6-5-7-13-24)15-9-11-21-10-8-14-25(20-21)33-23-18-16-22(27)17-19-23/h8,10,14,16-20,24,26-27H,3-7,9,11-13,15H2,1-2H3