1-(phosphonatomethoxy)propan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 1-(phosphonatomethoxy)propan-2-yl 4-methylbenzenesulfonate Openeye Name: [1-methyl-2-(phosphonatomethoxy)ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-(phosphonatomethoxy)propan-2-yl ester IUPAC Name: 1-(phosphonatomethoxy)propan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-methyl-2-(phosphonatomethoxy)ethyl] ester Formula: C11H15O7PS-2 MolecularWeight: 322.271361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)COCP(=O)([O-])[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)COCP(=O)([O-])[O-]

InChI

InChI=1S/C11H17O7PS/c1-9-3-5-11(6-4-9)20(15,16)18-10(2)7-17-8-19(12,13)14/h3-6,10H,7-8H2,1-2H3,(H2,12,13,14)/p-2