disodium; 2-(dioxidanyl)-4-methyl-1-propan-2-yl-cyclohexane; hydrogen sulfate; iron(2+); sulfate

Systemtic Name: disodium; 2-(dioxidanyl)-4-methyl-1-propan-2-yl-cyclohexane; hydrogen sulfate; iron(2+); sulfate Openeye Name: ferrous; disodium; hydrogen sulfate; 2-hydroperoxy-1-isopropyl-4-methyl-cyclohexane; sulfate CAS Name: disodium; hydrogen sulfate; 2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane; iron(2+); sulfate IUPAC Name: disodium; hydrogen sulfate; 2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane; iron(2+); sulfate Traditional Name: ferrous disodium 2-hydroperoxy-1-isopropyl-4-methyl-cyclohexane dibisulfate sulfate Formula: C20H42FeNa2O16S3 MolecularWeight: 736.55742

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OO)C(C)C.CC1CCC(C(C1)OO)C(C)C.OS(=O)(=O)[O-].OS(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Na+].[Na+].[Fe+2]

Isomeric SMILES

CC1CCC(C(C1)OO)C(C)C.CC1CCC(C(C1)OO)C(C)C.OS(=O)(=O)[O-].OS(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Na+].[Na+].[Fe+2]

InChI

InChI=1S/2C10H20O2.Fe.2Na.3H2O4S/c2*1-7(2)9-5-4-8(3)6-10(9)12-11;;;;3*1-5(2,3)4/h2*7-11H,4-6H2,1-3H3;;;;3*(H2,1,2,3,4)/q;;+2;2*+1;;;/p-4