(1,1-dideuterio-3,3-dimethyl-butyl)-triphenyl-phosphanium; methanesulfonate

Systemtic Name: (1,1-dideuterio-3,3-dimethyl-butyl)-triphenyl-phosphanium; methanesulfonate Openeye Name: (1,1-dideuterio-3,3-dimethyl-butyl)-triphenyl-phosphonium; methanesulfonate CAS Name: (1,1-dideuterio-3,3-dimethylbutyl)-triphenylphosphonium; methanesulfonate IUPAC Name: (1,1-dideuterio-3,3-dimethylbutyl)-triphenylphosphanium; methanesulfonate Traditional Name: (1,1-dideuterio-3,3-dimethyl-butyl)-triphenyl-phosphonium mesylate Formula: C25H31O3PS MolecularWeight: 444.562925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C([2H])(CC(C)(C)C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CS(=O)(=O)[O-]

InChI

InChI=1S/C24H28P.CH4O3S/c1-24(2,3)19-20-25(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23;1-5(2,3)4/h4-18H,19-20H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1/i20D2;