3-methoxycarbonylbenzenesulfonate; tributylphosphanium

Systemtic Name: 3-methoxycarbonylbenzenesulfonate; tributylphosphanium Openeye Name: 3-methoxycarbonylbenzenesulfonate; tributylphosphonium CAS Name: 3-methoxycarbonylbenzenesulfonate; tributylphosphonium IUPAC Name: 3-methoxycarbonylbenzenesulfonate; tributylphosphanium Traditional Name: 3-carbomethoxybesylate; tributylphosphonium Formula: C20H35O5PS MolecularWeight: 418.527661

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[PH+](CCCC)CCCC.COC(=O)C1=CC(=CC=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCC[PH+](CCCC)CCCC.COC(=O)C1=CC(=CC=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C12H27P.C8H8O5S/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-13-8(9)6-3-2-4-7(5-6)14(10,11)12/h4-12H2,1-3H3;2-5H,1H3,(H,10,11,12)