Synonyms
4-Aminotoluene-3-sulfonic acid nickel(II) salt
IUPAC Name
2-amino-5-methylbenzenesulfonate;nickel(2+);
Molecular Weight
431.1
Molecular Formula
C14H16N2NiO6S2
Canonical SMILES
CC1=CC(=C(C=C1)N)S(=O)(=O)[O-].CC1=CC(=C(C=C1)N)S(=O)(=O)[O-].[Ni+2]
InChI
InChI=1S/2C7H9NO3S.Ni/c2*1-5-2-3-6(8)7(4-5)12(9,10)11;/h2*2-4H,8H2,1H3,(H,9,10,11);/q;+2/p-2
InChI Key
JFVHHXOSEDMKHN-UHFFFAOYSA-L
Purity
95%+
Appearance
Green to dark green white to light yellow
Complexity
231
Covalently-Bonded Unit Count
3
Defined Atom Stereocenter Count
0
Exact Mass
429.98032
H-Bond Acceptor
8
H-Bond Donor
2
Heavy Atom Count
25
Monoisotopic Mass
429.98032
Rotatable Bond Count
0
Topological Polar Surface Area
183 Ų
