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

Systemtic Name: cyclohexyl 1-diethoxyphosphoryl-4-[4-(4-pentylphenyl)phenyl]butane-1-sulfonate Openeye Name: cyclohexyl 1-diethoxyphosphoryl-4-[4-(4-pentylphenyl)phenyl]butane-1-sulfonate CAS Name: 1-diethoxyphosphoryl-4-[4-(4-pentylphenyl)phenyl]-1-butanesulfonic acid IUPAC Name: cyclohexyl 1-diethoxyphosphoryl-4-[4-(4-pentylphenyl)phenyl]butane-1-sulfonate Traditional Name: 4-[4-(4-amylphenyl)phenyl]-1-diethoxyphosphoryl-butane-1-sulfonic acid cyclohexyl ester Formula: C31H47O6PS MolecularWeight: 578.740041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCCC(P(=O)(OCC)OCC)S(=O)(=O)OC3CCCCC3

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCCC(P(=O)(OCC)OCC)S(=O)(=O)OC3CCCCC3

InChI

InChI=1S/C31H47O6PS/c1-4-7-9-13-26-18-22-28(23-19-26)29-24-20-27(21-25-29)14-12-17-31(38(32,35-5-2)36-6-3)39(33,34)37-30-15-10-8-11-16-30/h18-25,30-31H,4-17H2,1-3H3