cyclopentane; 2-cyclopentyl-5-phenyl-3-propan-2-yloxy-cyclohexa-2,5-diene-1,4-dione; iron(2+)

Systemtic Name: cyclopentane; 2-cyclopentyl-5-phenyl-3-propan-2-yloxy-cyclohexa-2,5-diene-1,4-dione; iron(2+) Openeye Name: ferrous; cyclopentane; 2-cyclopentyl-3-isopropoxy-5-phenyl-1,4-benzoquinone CAS Name: cyclopentane; 2-cyclopentyl-5-phenyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione; iron(2+) IUPAC Name: cyclopentane; 2-cyclopentyl-5-phenyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione; iron(2+) Traditional Name: ferrous; cyclopentane; 2-cyclopentyl-3-isopropoxy-5-phenyl-p-benzoquinone Formula: C25H22FeO3+2 MolecularWeight: 426.28538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=O)C=C(C1=O)C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CC(C)OC1=C(C(=O)C=C(C1=O)C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C20H17O3.C5H5.Fe/c1-13(2)23-20-18(15-10-6-7-11-15)17(21)12-16(19(20)22)14-8-4-3-5-9-14;1-2-4-5-3-1;/h3-13H,1-2H3;1-5H;/q;;+2