PubChem6566715

Molecular Formula: C₃₂H₁₅FeN₈NaO₁₄S₄^-2

InChI: InChI=1/C32H16N8O12S4.Fe.Na.2O/c41-53(42,43)13-1-5-17-21(9-13)29-33-25(17)37-30-22-10-14(54(44,45)46)2-6-18(22)27(34-30)39-32-24-12-16(56(50,51)52)4-8-20(24)28(36-32)40-31-23-11-15(55(47,48)49)3-7-19(23)26(35-31)38-29;;;;/h1-12H,(H4-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52);;;;/q-2;;+1;;/p-1/fC32H15N8O12S4.Fe.Na.2O/h41,44,47H;;;;/q-3;;m;;/b37-25-,37-30-,38-26-,38-29-,39-27-,39-32-,40-28-,40-31-;;;;/rC32H16N8O12S4.FeO2.Na/c41-53(42,43)13-1-5-17-21(9-13)29-33-25(17)37-30-22-10-14(54(44,45)46)2-6-18(22)27(34-30)39-32-24-12-16(56(50,51)52)4-8-20(24)28(36-32)40-31-23-11-15(55(47,48)49)3-7-19(23)26(35-31)38-29;2-1-3;/h1-12H,(H4-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52);;/q-2;;+1/p-1/fC32H15N8O12S4.FeO2.Na/h41,44,47H;;/q-3;;m/b37-25-,37-30-,38-26-,38-29-,39-27-,39-32-,40-28-,40-31-;;

InChIKey: InChIKey=RQBICURNAVVGJR-PNPQWYNGDE
SMILES: C1=CC2=C(C=C1S(=O)(=O)O)C3=NC2=NC4=C5C=C(C=CC5=C([N-]4)N=C6C7=C(C=CC(=C7)S(=O)(=O)O)C(=N6)N=C8C9=C(C=CC(=C9)S(=O)(=O)[O-])C(=N3)[N-]8)S(=O)(=O)O.O=[Fe]=O.[Na+]

Names:
    PubChem6566715

Registries:
    PubChem CID 4454540
    PubChem ID 6566715