iron(3+); [tris(2-methylaziridin-1-yl)-$l^{5}-phosphanylidene]oxidanium

Systemtic Name: iron(3+); [tris(2-methylaziridin-1-yl)-$l^{5}-phosphanylidene]oxidanium Openeye Name: ferric [tris(2-methylaziridin-1-yl)-$l^{5}-phosphanylidene]oxonium CAS Name: iron(3+); tris(2-methyl-1-aziridinyl)phosphoranylideneoxonium IUPAC Name: iron(3+); [tris(2-methylaziridin-1-yl)-$l^{5}-phosphanylidene]oxidanium Traditional Name: ferric tris(2-methylethylenimin-1-yl)phosphoranylideneoxonium Formula: C54H114FeN18O6P6+9 MolecularWeight: 1353.287526

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN1P(=[OH+])(N2CC2C)N3CC3C.CC1CN1P(=[OH+])(N2CC2C)N3CC3C.CC1CN1P(=[OH+])(N2CC2C)N3CC3C.CC1CN1P(=[OH+])(N2CC2C)N3CC3C.CC1CN1P(=[OH+])(N2CC2C)N3CC3C.CC1CN1P(=[OH+])(N2CC2C)N3CC3C.[Fe+3]

Isomeric SMILES

CC1CN1P(=[OH+])(N2CC2C)N3CC3C.CC1CN1P(=[OH+])(N2CC2C)N3CC3C.CC1CN1P(=[OH+])(N2CC2C)N3CC3C.CC1CN1P(=[OH+])(N2CC2C)N3CC3C.CC1CN1P(=[OH+])(N2CC2C)N3CC3C.CC1CN1P(=[OH+])(N2CC2C)N3CC3C.[Fe+3]

InChI

InChI=1S/6C9H18N3OP.Fe/c6*1-7-4-10(7)14(13,11-5-8(11)2)12-6-9(12)3;/h6*7-9H,4-6H2,1-3H3;/q;;;;;;+3/p+6