disodium; 1-(dioxidanyl)-2-propan-2-yl-benzene; iron(2+); phosphonato phosphate; sulfate

Systemtic Name: disodium; 1-(dioxidanyl)-2-propan-2-yl-benzene; iron(2+); phosphonato phosphate; sulfate Openeye Name: diferrous; disodium; 1-hydroperoxy-2-isopropyl-benzene; phosphonato phosphate; sulfate CAS Name: disodium; 1-hydroperoxy-2-propan-2-ylbenzene; iron(2+); phosphonato phosphate; sulfate IUPAC Name: disodium; 1-hydroperoxy-2-propan-2-ylbenzene; iron(2+); phosphonato phosphate; sulfate Traditional Name: diferrous; disodium; 1-hydroperoxy-2-isopropyl-benzene; phosphonato phosphate; sulfate Formula: C18H24Fe2Na2O15P2S MolecularWeight: 732.056222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OO.CC(C)C1=CC=CC=C1OO.[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]S(=O)(=O)[O-].[Na+].[Na+].[Fe+2].[Fe+2]

Isomeric SMILES

CC(C)C1=CC=CC=C1OO.CC(C)C1=CC=CC=C1OO.[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]S(=O)(=O)[O-].[Na+].[Na+].[Fe+2].[Fe+2]

InChI

InChI=1S/2C9H12O2.2Fe.2Na.H4O7P2.H2O4S/c2*1-7(2)8-5-3-4-6-9(8)11-10;;;;;1-8(2,3)7-9(4,5)6;1-5(2,3)4/h2*3-7,10H,1-2H3;;;;;(H2,1,2,3)(H2,4,5,6);(H2,1,2,3,4)/q;;2*+2;2*+1;;/p-6