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

Systemtic Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-(4-propylphenoxy)phenyl]butane-1-sulfonate Openeye Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-(4-propylphenoxy)phenyl]butane-1-sulfonate CAS Name: 1-diethoxyphosphoryl-4-[3-(4-propylphenoxy)phenyl]-1-butanesulfonic acid IUPAC Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-(4-propylphenoxy)phenyl]butane-1-sulfonate Traditional Name: 1-diethoxyphosphoryl-4-[3-(4-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=C(C=C1)OC2=CC=CC(=C2)CCCC(P(=O)(OCC)OCC)S(=O)(=O)OC3CCCCC3

Isomeric SMILES

CCCC1=CC=C(C=C1)OC2=CC=CC(=C2)CCCC(P(=O)(OCC)OCC)S(=O)(=O)OC3CCCCC3

InChI

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