4-methylbenzenesulfonic acid; 2,2,2-tris(chloranyl)ethyl 2-azanyl-2-diethoxyphosphoryl-ethanoate

Systemtic Name: 4-methylbenzenesulfonic acid; 2,2,2-tris(chloranyl)ethyl 2-azanyl-2-diethoxyphosphoryl-ethanoate Openeye Name: 4-methylbenzenesulfonic acid; 2,2,2-trichloroethyl 2-amino-2-diethoxyphosphoryl-acetate CAS Name: 2-amino-2-diethoxyphosphorylacetic acid 2,2,2-trichloroethyl ester; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylbenzenesulfonic acid; 2,2,2-trichloroethyl 2-amino-2-diethoxyphosphorylacetate Traditional Name: 2-amino-2-diethoxyphosphoryl-acetic acid 2,2,2-trichloroethyl ester; tosylic acid Formula: C15H23Cl3NO8PS MolecularWeight: 514.742781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C(=O)OCC(Cl)(Cl)Cl)N)OCC.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCOP(=O)(C(C(=O)OCC(Cl)(Cl)Cl)N)OCC.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C8H15Cl3NO5P.C7H8O3S/c1-3-16-18(14,17-4-2)6(12)7(13)15-5-8(9,10)11;1-6-2-4-7(5-3-6)11(8,9)10/h6H,3-5,12H2,1-2H3;2-5H,1H3,(H,8,9,10)