[3-methoxy-1-oxidanylidene-2,3-di(propan-2-yl)phosphiran-1-ium-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [3-methoxy-1-oxidanylidene-2,3-di(propan-2-yl)phosphiran-1-ium-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: (2,3-diisopropyl-3-methoxy-1-oxo-phosphiran-1-ium-2-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-methoxy-1-oxo-2,3-di(propan-2-yl)-2-phosphiran-1-iumyl]methyl ester IUPAC Name: [3-methoxy-1-oxo-2,3-di(propan-2-yl)phosphiran-1-ium-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,3-diisopropyl-1-keto-3-methoxy-phosphiran-1-ium-2-yl)methyl ester Formula: C17H26O5PS+ MolecularWeight: 373.424101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(C([P+]2=O)(C(C)C)OC)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(C([P+]2=O)(C(C)C)OC)C(C)C

InChI

InChI=1S/C17H26O5PS/c1-12(2)16(17(21-6,13(3)4)23(16)18)11-22-24(19,20)15-9-7-14(5)8-10-15/h7-10,12-13H,11H2,1-6H3/q+1