3-sulfonatobenzoate; tetrabutylphosphanium

Systemtic Name: 3-sulfonatobenzoate; tetrabutylphosphanium Openeye Name: 3-sulfonatobenzoate; tetrabutylphosphonium CAS Name: 3-sulfonatobenzoate; tetrabutylphosphonium IUPAC Name: 3-sulfonatobenzoate; tetrabutylphosphanium Traditional Name: 3-sulfonatobenzoate; tetrabutylphosphonium Formula: C39H76O5P2S MolecularWeight: 719.030262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C16H36P.C7H6O5S/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;8-7(9)5-2-1-3-6(4-5)13(10,11)12/h2*5-16H2,1-4H3;1-4H,(H,8,9)(H,10,11,12)/q2*+1;/p-2