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102561-46-6 | Benzenemethanaminium, N,N,N-tributyl-, 4-hydroxy-1-naphthalenesulfonate (1:1)
CAS No: 102561-46-6 Catalog No: AG0007QM MDL No:
Product Description
Catalog Number:
AG0007QM
Chemical Name:
Benzenemethanaminium, N,N,N-tributyl-, 4-hydroxy-1-naphthalenesulfonate (1:1)
CAS Number:
102561-46-6
Molecular Formula:
C29H41NO4S
Molecular Weight:
499.7051
IUPAC Name:
benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate
InChI:
InChI=1S/C19H34N.C10H8O4S/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h10-14H,4-9,15-18H2,1-3H3;1-6,11H,(H,12,13,14)/q+1;/p-1
InChI Key:
XVJXBJTXFXPQAN-UHFFFAOYSA-M
SMILES:
Oc1ccc(c2c1cccc2)S(=O)(=O)[O-].CCCC[N+](Cc1ccccc1)(CCCC)CCCC
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
499.276g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
499.71g/mol
Monoisotopic Mass:
499.276g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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