[6-butan-2-yl-3-(2-methylpropyl)-1-oxidanyl-pyrazin-2-ylidene]oxidanium; iron

Systemtic Name: [6-butan-2-yl-3-(2-methylpropyl)-1-oxidanyl-pyrazin-2-ylidene]oxidanium; iron Openeye Name: (1-hydroxy-3-isobutyl-6-sec-butyl-pyrazin-2-ylidene)oxonium; iron CAS Name: [6-butan-2-yl-1-hydroxy-3-(2-methylpropyl)-2-pyrazinylidene]oxonium; iron IUPAC Name: [6-butan-2-yl-1-hydroxy-3-(2-methylpropyl)pyrazin-2-ylidene]oxidanium; iron Traditional Name: (1-hydroxy-3-isobutyl-6-sec-butyl-pyrazin-2-ylidene)oxonium; iron Formula: C36H63FeN6O6+3 MolecularWeight: 731.76702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CN=C(C(=[OH+])N1O)CC(C)C.CCC(C)C1=CN=C(C(=[OH+])N1O)CC(C)C.CCC(C)C1=CN=C(C(=[OH+])N1O)CC(C)C.[Fe]

Isomeric SMILES

CCC(C)C1=CN=C(C(=[OH+])N1O)CC(C)C.CCC(C)C1=CN=C(C(=[OH+])N1O)CC(C)C.CCC(C)C1=CN=C(C(=[OH+])N1O)CC(C)C.[Fe]

InChI

InChI=1S/3C12H20N2O2.Fe/c3*1-5-9(4)11-7-13-10(6-8(2)3)12(15)14(11)16;/h3*7-9,16H,5-6H2,1-4H3;/p+3