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

Systemtic Name: cyclohexyl 1-diethoxyphosphoryl-4-[4-(3-propylphenyl)phenyl]butane-1-sulfonate Openeye Name: cyclohexyl 1-diethoxyphosphoryl-4-[4-(3-propylphenyl)phenyl]butane-1-sulfonate CAS Name: 1-diethoxyphosphoryl-4-[4-(3-propylphenyl)phenyl]-1-butanesulfonic acid IUPAC Name: cyclohexyl 1-diethoxyphosphoryl-4-[4-(3-propylphenyl)phenyl]butane-1-sulfonate Traditional Name: 1-diethoxyphosphoryl-4-[4-(3-propylphenyl)phenyl]butane-1-sulfonic acid cyclohexyl ester Formula: C29H43O6PS MolecularWeight: 550.686881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H43O6PS/c1-4-12-25-14-10-15-27(23-25)26-21-19-24(20-22-26)13-11-18-29(36(30,33-5-2)34-6-3)37(31,32)35-28-16-8-7-9-17-28/h10,14-15,19-23,28-29H,4-9,11-13,16-18H2,1-3H3