1-Naphthalenesulfonic acid, 4-[(5-acetyl-2,4-dihydroxyphenyl)azo]-3-hydroxy-7-nitro-, iron complex

CAS Name

Ferrate(3-), bis[4-[(5-acetyl-2,4-dihydroxyphenyl)azo]-3-hydroxy-7-nitro-1-naphthalenesulfonato(3-)]-, disodium hydrogen

Molecular Formula

C₃₆H₂₀FeN₆O₁₈S₂.H.2Na

Other Names and Identifiers

InChI

InChI=1S/2C18H13N3O9S.Fe.2Na/c2*1-8(22)11-5-13(15(24)6-14(11)23)19-20-18-10-3-2-9(21(26)27)4-12(10)17(7-16(18)25)31(28,29)30;;;/h2*2-7,23-25H,1H3,(H,28,29,30);;;/q;;+3;2*+1/p-5

InChIKey

InChIKey=ITFFXBPWGBCARX-UHFFFAOYSA-I

SMILES

S(=O)(=O)([O-])C=1C=C2[O-][Fe+3]345([N](C=6C([O-]3)=CC(S(=O)(=O)[O-])=C7C6C=CC(N(=O)=O)=C7)=NC=8C([O-]4)=CC(O)=C(C(C)=O)C8)[N](C2=C9C1C=C(N(=O)=O)C=C9)=NC=%10C([O-]5)=CC(O)=C(C(C)=O)C%10.[H+].[Na+]

Canonical SMILES

[H+].[Na+].O=C(C=1C=C2N=[N]3C=4C([O-][Fe+3]563([O-]C2=CC1O)[O-]C7=CC(O)=C(C=C7N=[N]6C=8C([O-]5)=CC(=C9C=C(C=CC98)N(=O)=O)S(=O)(=O)[O-])C(=O)C)=CC(=C%10C=C(C=CC%104)N(=O)=O)S(=O)(=O)[O-])C

Other Names for this Substance