phosphonatomethyl 4-methylbenzenesulfonate

Systemtic Name: phosphonatomethyl 4-methylbenzenesulfonate Openeye Name: phosphonatomethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid phosphonatomethyl ester IUPAC Name: phosphonatomethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid phosphonatomethyl ester Formula: C8H9O6PS-2 MolecularWeight: 264.192221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11O6PS/c1-7-2-4-8(5-3-7)16(12,13)14-6-15(9,10)11/h2-5H,6H2,1H3,(H2,9,10,11)/p-2