sodium 4-(triphenylphosphaniumylmethyl)benzoate

Systemtic Name: sodium 4-(triphenylphosphaniumylmethyl)benzoate Openeye Name: sodium 4-(triphenylphosphaniumylmethyl)benzoate CAS Name: sodium 4-(triphenylphosphiniumylmethyl)benzoate IUPAC Name: sodium 4-(triphenylphosphaniumylmethyl)benzoate Traditional Name: sodium 4-(triphenylphosphiniumylmethyl)benzoate Formula: C26H21NaO2P+ MolecularWeight: 419.407271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)C(=O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)C(=O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C26H21O2P.Na/c27-26(28)22-18-16-21(17-19-22)20-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;/q;+1