4-chloranylsulfonylbutyl(triphenyl)phosphanium; 4-methylbenzenesulfonate

Systemtic Name: 4-chloranylsulfonylbutyl(triphenyl)phosphanium; 4-methylbenzenesulfonate Openeye Name: 4-chlorosulfonylbutyl(triphenyl)phosphonium; 4-methylbenzenesulfonate CAS Name: 4-chlorosulfonylbutyl(triphenyl)phosphonium; 4-methylbenzenesulfonate IUPAC Name: 4-chlorosulfonylbutyl(triphenyl)phosphanium; 4-methylbenzenesulfonate Traditional Name: 4-chlorosulfonylbutyl(triphenyl)phosphonium tosylate Formula: C29H30ClO5PS2 MolecularWeight: 589.102261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClO2PS.C7H8O3S/c23-27(24,25)19-11-10-18-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;1-6-2-4-7(5-3-6)11(8,9)10/h1-9,12-17H,10-11,18-19H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1