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

Systemtic Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-(2-propylphenoxy)phenyl]butane-1-sulfonate Openeye Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-(2-propylphenoxy)phenyl]butane-1-sulfonate CAS Name: 1-diethoxyphosphoryl-4-[3-(2-propylphenoxy)phenyl]-1-butanesulfonic acid IUPAC Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-(2-propylphenoxy)phenyl]butane-1-sulfonate Traditional Name: 1-diethoxyphosphoryl-4-[3-(2-propylphenoxy)phenyl]butane-1-sulfonic acid cyclohexyl ester Formula: C29H43O7PS MolecularWeight: 566.686281

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1OC2=CC=CC(=C2)CCCC(P(=O)(OCC)OCC)S(=O)(=O)OC3CCCCC3

Isomeric SMILES

CCCC1=CC=CC=C1OC2=CC=CC(=C2)CCCC(P(=O)(OCC)OCC)S(=O)(=O)OC3CCCCC3

InChI

InChI=1S/C29H43O7PS/c1-4-14-25-17-10-11-21-28(25)35-27-20-12-15-24(23-27)16-13-22-29(37(30,33-5-2)34-6-3)38(31,32)36-26-18-8-7-9-19-26/h10-12,15,17,20-21,23,26,29H,4-9,13-14,16,18-19,22H2,1-3H3