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

Systemtic Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-[2-(3-methylbutyl)phenoxy]phenyl]butane-1-sulfonate Openeye Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-(2-isopentylphenoxy)phenyl]butane-1-sulfonate CAS Name: 1-diethoxyphosphoryl-4-[3-[2-(3-methylbutyl)phenoxy]phenyl]-1-butanesulfonic acid IUPAC Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-[2-(3-methylbutyl)phenoxy]phenyl]butane-1-sulfonate Traditional Name: 1-diethoxyphosphoryl-4-[3-(2-isoamylphenoxy)phenyl]butane-1-sulfonic acid cyclohexyl ester Formula: C31H47O7PS MolecularWeight: 594.739441

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=CC=C2CCC(C)C)S(=O)(=O)OC3CCCCC3)OCC

Isomeric SMILES

CCOP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=CC=C2CCC(C)C)S(=O)(=O)OC3CCCCC3)OCC

InChI

InChI=1S/C31H47O7PS/c1-5-35-39(32,36-6-2)31(40(33,34)38-28-17-8-7-9-18-28)21-13-15-26-14-12-19-29(24-26)37-30-20-11-10-16-27(30)23-22-25(3)4/h10-12,14,16,19-20,24-25,28,31H,5-9,13,15,17-18,21-23H2,1-4H3