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

Systemtic Name: cyclohexyl 4-[3-(2-butylphenoxy)phenyl]-1-diethoxyphosphoryl-butane-1-sulfonate Openeye Name: cyclohexyl 4-[3-(2-butylphenoxy)phenyl]-1-diethoxyphosphoryl-butane-1-sulfonate CAS Name: 4-[3-(2-butylphenoxy)phenyl]-1-diethoxyphosphoryl-1-butanesulfonic acid IUPAC Name: cyclohexyl 4-[3-(2-butylphenoxy)phenyl]-1-diethoxyphosphorylbutane-1-sulfonate Traditional Name: 4-[3-(2-butylphenoxy)phenyl]-1-diethoxyphosphoryl-butane-1-sulfonic acid cyclohexyl ester Formula: C30H45O7PS MolecularWeight: 580.712861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1OC2=CC=CC(=C2)CCCC(P(=O)(OCC)OCC)S(=O)(=O)OC3CCCCC3

Isomeric SMILES

CCCCC1=CC=CC=C1OC2=CC=CC(=C2)CCCC(P(=O)(OCC)OCC)S(=O)(=O)OC3CCCCC3

InChI

InChI=1S/C30H45O7PS/c1-4-7-17-26-18-11-12-22-29(26)36-28-21-13-15-25(24-28)16-14-23-30(38(31,34-5-2)35-6-3)39(32,33)37-27-19-9-8-10-20-27/h11-13,15,18,21-22,24,27,30H,4-10,14,16-17,19-20,23H2,1-3H3