cyclopentane; 2-cyclopentyl-2,3-bis(1,2,4-triazol-1-yl)propan-1-ol; iron(2+)

Systemtic Name: cyclopentane; 2-cyclopentyl-2,3-bis(1,2,4-triazol-1-yl)propan-1-ol; iron(2+) Openeye Name: ferrous; cyclopentane; 2-cyclopentyl-2,3-bis(1,2,4-triazol-1-yl)propan-1-ol CAS Name: cyclopentane; 2-cyclopentyl-2,3-bis(1,2,4-triazol-1-yl)-1-propanol; iron(2+) IUPAC Name: cyclopentane; 2-cyclopentyl-2,3-bis(1,2,4-triazol-1-yl)propan-1-ol; iron(2+) Traditional Name: ferrous; cyclopentane; 2-cyclopentyl-2,3-bis(1,2,4-triazol-1-yl)propan-1-ol Formula: C17H18FeN6O+2 MolecularWeight: 378.20942

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Descriptors Computed from Structure

Canonical SMILES:

[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C]([CH]1)C(CN2C=NC=N2)(CO)N3C=NC=N3.[Fe+2]

Isomeric SMILES

[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C]([CH]1)C(CN2C=NC=N2)(CO)N3C=NC=N3.[Fe+2]

InChI

InChI=1S/C12H13N6O.C5H5.Fe/c19-6-12(11-3-1-2-4-11,18-10-14-8-16-18)5-17-9-13-7-15-17;1-2-4-5-3-1;/h1-4,7-10,19H,5-6H2;1-5H;/q;;+2