dibutylphosphorylmethyl 4-methylbenzenesulfonate

Systemtic Name: dibutylphosphorylmethyl 4-methylbenzenesulfonate Openeye Name: dibutylphosphorylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid dibutylphosphorylmethyl ester IUPAC Name: dibutylphosphorylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid dibutylphosphorylmethyl ester Formula: C16H27O4PS MolecularWeight: 346.421941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCP(=O)(CCCC)COS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCP(=O)(CCCC)COS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C16H27O4PS/c1-4-6-12-21(17,13-7-5-2)14-20-22(18,19)16-10-8-15(3)9-11-16/h8-11H,4-7,12-14H2,1-3H3