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

Systemtic Name: 2-(dioxidanyl)-4-methyl-1-propan-2-yl-cyclohexane; iron(2+); sulfate Openeye Name: ferrous 2-hydroperoxy-1-isopropyl-4-methyl-cyclohexane sulfate CAS Name: 2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane; iron(2+); sulfate IUPAC Name: 2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane; iron(2+); sulfate Traditional Name: ferrous 2-hydroperoxy-1-isopropyl-4-methyl-cyclohexane sulfate Formula: C10H20FeO6S MolecularWeight: 324.1722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H20O2.Fe.H2O4S/c1-7(2)9-5-4-8(3)6-10(9)12-11;;1-5(2,3)4/h7-11H,4-6H2,1-3H3;;(H2,1,2,3,4)/q;+2;/p-2