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116237-97-9 | Phosphonium, tetrabutyl-, 4-methylbenzenesulfonate (1:1)
CAS No: 116237-97-9 Catalog No: AG000C0S MDL No:MFCD00210094
Product Description
Catalog Number:
AG000C0S
Chemical Name:
Phosphonium, tetrabutyl-, 4-methylbenzenesulfonate (1:1)
CAS Number:
116237-97-9
Molecular Formula:
C23H43O3PS
Molecular Weight:
430.6245
MDL Number:
MFCD00210094
IUPAC Name:
4-methylbenzenesulfonate;tetrabutylphosphanium
InChI:
InChI=1S/C16H36P.C7H8O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-6-2-4-7(5-3-6)11(8,9)10/h5-16H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key:
FBYJOCBDWDVDOJ-UHFFFAOYSA-M
SMILES:
Cc1ccc(cc1)S(=O)(=O)[O-].CCCC[P+](CCCC)(CCCC)CCCC
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.267g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.628g/mol
Monoisotopic Mass:
430.267g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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