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

Systemtic Name: trisodium; 5,6-bis(azanyl)naphthalene-1,3-disulfonate; iron Openeye Name: trisodium; 5,6-diaminonaphthalene-1,3-disulfonate; iron CAS Name: trisodium; 5,6-diaminonaphthalene-1,3-disulfonate; iron IUPAC Name: trisodium; 5,6-diaminonaphthalene-1,3-disulfonate; iron Traditional Name: trisodium; 5,6-diaminonaphthalene-1,3-disulfonate; iron Formula: C30H24FeN6Na3O18S6-3 MolecularWeight: 1073.74527

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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.[Na+].[Na+].[Na+].[Fe]

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.[Na+].[Na+].[Na+].[Fe]

InChI

InChI=1S/3C10H10N2O6S2.Fe.3Na/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*+1/p-6