butyl(triphenyl)phosphanium; 4-methylbenzenesulfonate

Systemtic Name: butyl(triphenyl)phosphanium; 4-methylbenzenesulfonate Openeye Name: butyl(triphenyl)phosphonium; 4-methylbenzenesulfonate CAS Name: butyl(triphenyl)phosphonium; 4-methylbenzenesulfonate IUPAC Name: butyl(triphenyl)phosphanium; 4-methylbenzenesulfonate Traditional Name: butyl(triphenyl)phosphonium tosylate Formula: C29H31O3PS MolecularWeight: 490.593401

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C22H24P.C7H8O3S/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;1-6-2-4-7(5-3-6)11(8,9)10/h4-18H,2-3,19H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1