benzenesulfonate; ethyl(triphenyl)phosphanium; 4-methylbenzenesulfonate; methyl(triphenyl)phosphanium

Systemtic Name: benzenesulfonate; ethyl(triphenyl)phosphanium; 4-methylbenzenesulfonate; methyl(triphenyl)phosphanium Openeye Name: benzenesulfonate; ethyl(triphenyl)phosphonium; 4-methylbenzenesulfonate; methyl(triphenyl)phosphonium CAS Name: benzenesulfonate; ethyl(triphenyl)phosphonium; 4-methylbenzenesulfonate; methyl(triphenyl)phosphonium IUPAC Name: benzenesulfonate; ethyl(triphenyl)phosphanium; 4-methylbenzenesulfonate; methyl(triphenyl)phosphanium Traditional Name: ethyl(triphenyl)phosphonium; methyl(triphenyl)phosphonium; besylate; tosylate Formula: C52H50O6P2S2 MolecularWeight: 897.027322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20P.C19H18P.C7H8O3S.C6H6O3S/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-6-2-4-7(5-3-6)11(8,9)10;7-10(8,9)6-4-2-1-3-5-6/h3-17H,2H2,1H3;2-16H,1H3;2-5H,1H3,(H,8,9,10);1-5H,(H,7,8,9)/q2*+1;;/p-2