tetracyclohexylphosphanium benzoate

Systemtic Name: tetracyclohexylphosphanium benzoate Openeye Name: tetracyclohexylphosphonium benzoate CAS Name: tetracyclohexylphosphonium benzoate IUPAC Name: tetracyclohexylphosphanium benzoate Traditional Name: tetracyclohexylphosphonium benzoate Formula: C31H49O2P MolecularWeight: 484.693321

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[P+](C2CCCCC2)(C3CCCCC3)C4CCCCC4.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)[P+](C2CCCCC2)(C3CCCCC3)C4CCCCC4.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C24H44P.C7H6O2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;8-7(9)6-4-2-1-3-5-6/h21-24H,1-20H2;1-5H,(H,8,9)/q+1;/p-1