2-azanyl-5-methyl-benzenesulfonic acid; nickel

Systemtic Name: 2-azanyl-5-methyl-benzenesulfonic acid; nickel Openeye Name: 2-amino-5-methyl-benzenesulfonic acid; nickel CAS Name: 2-amino-5-methylbenzenesulfonic acid; nickel IUPAC Name: 2-amino-5-methylbenzenesulfonic acid; nickel Traditional Name: 2-amino-5-methyl-besylic acid; nickel Formula: C14H18N2NiO6S2 MolecularWeight: 433.12592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N)S(=O)(=O)O.CC1=CC(=C(C=C1)N)S(=O)(=O)O.[Ni]

Isomeric SMILES

CC1=CC(=C(C=C1)N)S(=O)(=O)O.CC1=CC(=C(C=C1)N)S(=O)(=O)O.[Ni]

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);