Nickel(II) 2-amino-5-methylbenzenesulfonate

Catalog Number	ACM375387136-1
CAS	375387-13-6
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
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Monoisotopic Mass	429.98032
Rotatable Bond Count	0
Topological Polar Surface Area	183 Ų