3-sulfonatobenzoate; tetraphenylphosphanium

Systemtic Name: 3-sulfonatobenzoate; tetraphenylphosphanium Openeye Name: 3-sulfonatobenzoate; tetraphenylphosphonium CAS Name: 3-sulfonatobenzoate; tetraphenylphosphonium IUPAC Name: 3-sulfonatobenzoate; tetraphenylphosphanium Traditional Name: 3-sulfonatobenzoate; tetraphenylphosphonium Formula: C55H44O5P2S MolecularWeight: 878.947382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C24H20P.C7H6O5S/c2*1-5-13-21(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)5-2-1-3-6(4-5)13(10,11)12/h2*1-20H;1-4H,(H,8,9)(H,10,11,12)/q2*+1;/p-2