cyclopentane; (E)-3-cyclopentyl-2-(prop-2-ynoxymethyl)prop-2-enenitrile; iron(2+)

Systemtic Name: cyclopentane; (E)-3-cyclopentyl-2-(prop-2-ynoxymethyl)prop-2-enenitrile; iron(2+) Openeye Name: ferrous; cyclopentane; (E)-3-cyclopentyl-2-(prop-2-ynoxymethyl)prop-2-enenitrile CAS Name: cyclopentane; (E)-3-cyclopentyl-2-(prop-2-ynoxymethyl)-2-propenenitrile; iron(2+) IUPAC Name: cyclopentane; (E)-3-cyclopentyl-2-(prop-2-ynoxymethyl)prop-2-enenitrile; iron(2+) Traditional Name: ferrous; cyclopentane; (E)-3-cyclopentyl-2-(propargyloxymethyl)acrylonitrile Formula: C17H15FeNO+2 MolecularWeight: 305.1521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCOCC(=C[C]1[CH][CH][CH][CH]1)C#N.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C#CCOC/C(=C/[C]1[CH][CH][CH][CH]1)/C#N.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C12H10NO.C5H5.Fe/c1-2-7-14-10-12(9-13)8-11-5-3-4-6-11;1-2-4-5-3-1;/h1,3-6,8H,7,10H2;1-5H;/q;;+2