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

Systemtic Name: cyclohexyl 1-diethoxyphosphoryl-4-[4-(4-propylphenyl)phenyl]butane-1-sulfonate Openeye Name: cyclohexyl 1-diethoxyphosphoryl-4-[4-(4-propylphenyl)phenyl]butane-1-sulfonate CAS Name: 1-diethoxyphosphoryl-4-[4-(4-propylphenyl)phenyl]-1-butanesulfonic acid IUPAC Name: cyclohexyl 1-diethoxyphosphoryl-4-[4-(4-propylphenyl)phenyl]butane-1-sulfonate Traditional Name: 1-diethoxyphosphoryl-4-[4-(4-propylphenyl)phenyl]butane-1-sulfonic acid cyclohexyl ester Formula: C29H43O6PS MolecularWeight: 550.686881

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCCC(P(=O)(OCC)OCC)S(=O)(=O)OC3CCCCC3

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCCC(P(=O)(OCC)OCC)S(=O)(=O)OC3CCCCC3

InChI

InChI=1S/C29H43O6PS/c1-4-11-24-16-20-26(21-17-24)27-22-18-25(19-23-27)12-10-15-29(36(30,33-5-2)34-6-3)37(31,32)35-28-13-8-7-9-14-28/h16-23,28-29H,4-15H2,1-3H3