3-sulfooxycarbonylbenzoate; tetrabutylphosphanium

Systemtic Name: 3-sulfooxycarbonylbenzoate; tetrabutylphosphanium Openeye Name: 3-sulfooxycarbonylbenzoate; tetrabutylphosphonium CAS Name: 3-[oxo(sulfooxy)methyl]benzoate; tetrabutylphosphonium IUPAC Name: 3-sulfooxycarbonylbenzoate; tetrabutylphosphanium Traditional Name: 3-sulfoxycarbonylbenzoate; tetrabutylphosphonium Formula: C24H41O7PS MolecularWeight: 504.616901

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[P+](CCCC)(CCCC)CCCC.C1=CC(=CC(=C1)C(=O)OS(=O)(=O)O)C(=O)[O-]

Isomeric SMILES

CCCC[P+](CCCC)(CCCC)CCCC.C1=CC(=CC(=C1)C(=O)OS(=O)(=O)O)C(=O)[O-]

InChI

InChI=1S/C16H36P.C8H6O7S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;9-7(10)5-2-1-3-6(4-5)8(11)15-16(12,13)14/h5-16H2,1-4H3;1-4H,(H,9,10)(H,12,13,14)/q+1;/p-1