tripotassium; 5,6-bis(azanyl)naphthalene-1,3-disulfonate; iron(3+)

Systemtic Name: tripotassium; 5,6-bis(azanyl)naphthalene-1,3-disulfonate; iron(3+) Openeye Name: ferric tripotassium 5,6-diaminonaphthalene-1,3-disulfonate CAS Name: tripotassium; 5,6-diaminonaphthalene-1,3-disulfonate; iron(3+) IUPAC Name: tripotassium; 5,6-diaminonaphthalene-1,3-disulfonate; iron(3+) Traditional Name: ferric tripotassium 5,6-diaminonaphthalene-1,3-disulfonate Formula: C30H24FeK3N6O18S6 MolecularWeight: 1122.07086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=CC(=CC(=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])N)N.C1=CC(=C(C2=CC(=CC(=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])N)N.C1=CC(=C(C2=CC(=CC(=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])N)N.[K+].[K+].[K+].[Fe+3]

Isomeric SMILES

C1=CC(=C(C2=CC(=CC(=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])N)N.C1=CC(=C(C2=CC(=CC(=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])N)N.C1=CC(=C(C2=CC(=CC(=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])N)N.[K+].[K+].[K+].[Fe+3]

InChI

InChI=1S/3C10H10N2O6S2.Fe.3K/c3*11-8-2-1-6-7(10(8)12)3-5(19(13,14)15)4-9(6)20(16,17)18;;;;/h3*1-4H,11-12H2,(H,13,14,15)(H,16,17,18);;;;/q;;;+3;3*+1/p-6