2-(3-sulfonatophenoxy)ethanoate; tetraphenylphosphanium

Systemtic Name: 2-(3-sulfonatophenoxy)ethanoate; tetraphenylphosphanium Openeye Name: 2-(3-sulfonatophenoxy)acetate; tetraphenylphosphonium CAS Name: 2-(3-sulfonatophenoxy)acetate; tetraphenylphosphonium IUPAC Name: 2-(3-sulfonatophenoxy)acetate; tetraphenylphosphanium Traditional Name: 2-(3-sulfonatophenoxy)acetate; tetraphenylphosphonium Formula: C56H46O6P2S MolecularWeight: 908.973362

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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-])OCC(=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-])OCC(=O)[O-]

InChI

InChI=1S/2C24H20P.C8H8O6S/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;9-8(10)5-14-6-2-1-3-7(4-6)15(11,12)13/h2*1-20H;1-4H,5H2,(H,9,10)(H,11,12,13)/q2*+1;/p-2