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

Systemtic Name: cyclohexyl 4-[4-(4-butylphenyl)phenyl]-1-diethoxyphosphoryl-butane-1-sulfonate Openeye Name: cyclohexyl 4-[4-(4-butylphenyl)phenyl]-1-diethoxyphosphoryl-butane-1-sulfonate CAS Name: 4-[4-(4-butylphenyl)phenyl]-1-diethoxyphosphoryl-1-butanesulfonic acid IUPAC Name: cyclohexyl 4-[4-(4-butylphenyl)phenyl]-1-diethoxyphosphorylbutane-1-sulfonate Traditional Name: 4-[4-(4-butylphenyl)phenyl]-1-diethoxyphosphoryl-butane-1-sulfonic acid cyclohexyl ester Formula: C30H45O6PS MolecularWeight: 564.713461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCCC(P(=O)(OCC)OCC)S(=O)(=O)OC3CCCCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCCC(P(=O)(OCC)OCC)S(=O)(=O)OC3CCCCC3

InChI

InChI=1S/C30H45O6PS/c1-4-7-12-25-17-21-27(22-18-25)28-23-19-26(20-24-28)13-11-16-30(37(31,34-5-2)35-6-3)38(32,33)36-29-14-9-8-10-15-29/h17-24,29-30H,4-16H2,1-3H3