3,5-bis(methoxycarbonyl)benzenesulfonate; tetrabutylphosphanium

Systemtic Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; tetrabutylphosphanium Openeye Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; tetrabutylphosphonium CAS Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; tetrabutylphosphonium IUPAC Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; tetrabutylphosphanium Traditional Name: 3,5-dicarbomethoxybesylate; tetrabutylphosphonium Formula: C26H45O7PS MolecularWeight: 532.670061

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[P+](CCCC)(CCCC)CCCC.COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC

Isomeric SMILES

CCCC[P+](CCCC)(CCCC)CCCC.COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC

InChI

InChI=1S/C16H36P.C10H10O7S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15/h5-16H2,1-4H3;3-5H,1-2H3,(H,13,14,15)/q+1;/p-1