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85409-88-7 | POTASSIUM BIS(TERT-BUTYL)NAPHTHALENESULFONATE
CAS No: 85409-88-7 Catalog No: AG004K9Q MDL No:
Product Description
Catalog Number:
AG004K9Q
Chemical Name:
POTASSIUM BIS(TERT-BUTYL)NAPHTHALENESULFONATE
CAS Number:
85409-88-7
Molecular Formula:
C18H23KO3S
Molecular Weight:
358.5367
IUPAC Name:
potassium;2,3-ditert-butylnaphthalene-1-sulfonate
InChI:
InChI=1S/C18H24O3S.K/c1-17(2,3)14-11-12-9-7-8-10-13(12)16(22(19,20)21)15(14)18(4,5)6;/h7-11H,1-6H3,(H,19,20,21);/q;+1/p-1
InChI Key:
UFZPEWYXFLYJJN-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)c1c2ccccc2cc(c1C(C)(C)C)C(C)(C)C.[K+]
EC Number:
287-160-7
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.537g/mol
Monoisotopic Mass:
358.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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