phosphono 4-methylbenzenesulfonate

Systemtic Name: phosphono 4-methylbenzenesulfonate Openeye Name: phosphono 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid phosphono ester IUPAC Name: phosphono 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid phosphono ester Formula: C7H9O6PS MolecularWeight: 252.181521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OP(=O)(O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OP(=O)(O)O

InChI

InChI=1S/C7H9O6PS/c1-6-2-4-7(5-3-6)15(11,12)13-14(8,9)10/h2-5H,1H3,(H2,8,9,10)